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1-[(5-Fluorothien-2-Yl)Methyl]Piperidine-4-Carboxylic Acid

1-[(5-Fluorothien-2-Yl)Methyl]Piperidine-4-Carboxylic Acid - CAS 1245771-46-3

Catalog:	BB053384
Product Name:	1-[(5-Fluorothien-2-Yl)Methyl]Piperidine-4-Carboxylic Acid
CAS:	1245771-46-3
Synonyms:	1-[(5-Fluorothien-2-yl)methylpiperidine-4-carboxylic acid hydrochloride

Technical Data

Computed Properties

IUPAC Name:	1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylic acid
Molecular Weight:	243.3
Molecular Formula:	C11H14FNO2S
Canonical SMILES:	C1CN(CCC1C(=O)O)CC2=CC=C(S2)F
InChI:	InChI=1S/C11H14FNO2S/c12-10-2-1-9(16-10)7-13-5-3-8(4-6-13)11(14)15/h1-2,8H,3-7H2,(H,14,15)
InChI Key:	DVHZJJKPKBPDKK-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

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[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
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Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
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2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
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2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[856848-33-4]
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2-Bromo-1-nitronaphthalene

Piperidines

[1220027-22-4]
4-Methyl-1-(2-Pyrrolidinylmethyl)Piperidine Dihydrochloride
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[931998-13-9]
Ethyl 1-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)piperidine-3-carboxylate
[349625-89-4]
Ethyl 1-(methylsulfonyl)piperidine-3-carboxylate
[832740-03-1]
Ethyl 1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate
[130250-54-3]
Ethyl 1-Boc-3-piperidinecarboxylate

Thiophenes

[79485-96-4]
3-Bromo-2,4-dimethylthiophene
[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[40106-16-9]
Ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
[4815-36-5]
Ethyl 2-amino-4-phenylthiophene-3-carboxylate
[40106-13-6]
Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.07292802
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.07292802
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4