1-Boc-3-propylpiperazine - CAS 502649-27-6

Catalog:	BB026983
Product Name:	1-Boc-3-propylpiperazine
CAS:	502649-27-6
Synonyms:	3-propyl-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 3-propylpiperazine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-propylpiperazine-1-carboxylate
Description:	1-Boc-3-propylpiperazine (CAS# 502649-27-6) is a useful research chemical.
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CCCC1CN(CCN1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H24N2O2/c1-5-6-10-9-14(8-7-13-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
InChI Key:	UTQYTJHYWCCQIJ-UHFFFAOYSA-N
Boiling Point:	303.9 °C at 760 mmHg
Density:	0.972 g/cm³
MDL:	MFCD08273956
LogP:	2.26210

Publication Number	Title	Priority Date
US-10703746-B2	Mutant IDH1 inhibitors useful for treating cancer	20141222
AU-2005204060-A1	2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases	20040108
CA-2559888-A1	2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases	20040108
EP-1701944-A2	2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases	20040108
EP-1701944-B1	2-(amino-substituted)-4-aryl pyramidines and related compounds useful for treating inflammatory diseases	20040108

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Related Functional Groups

Piperazines

[1197237-96-9]
3-(4-Propylpiperazin-1-yl)propan-1-amine trihydrochloride
[1187874-30-1]
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[120-43-4]
Ethyl 1-piperazinecarboxylate
[1423024-26-3]
N''-(piperazine-1-carboximidoyl)guanidine trihydrochloride
[27469-60-9]
1-Bis(4-fluorophenyl)methyl piperazine

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.183778013
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.183778013
Rotatable Bond Count:	4
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8