1-Methylpiperidine-3-methanol - CAS 7583-53-1

Catalog:	BB035412
Product Name:	1-Methylpiperidine-3-methanol
CAS:	7583-53-1
Synonyms:	(1-methyl-3-piperidinyl)methanol; (1-methylpiperidin-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(1-methylpiperidin-3-yl)methanol
Description:	1-Methylpiperidine-3-methanol (CAS# 7583-53-1) is used in the preparation of pyrimidines as FGFR3 tyrosine kinase inhibitors as well as for potent pyrazine c-Src inhibitors in the treatment of ischemic stroke.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	CN1CCCC(C1)CO
InChI:	InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3
InChI Key:	UGXQXVDTGJCQHR-UHFFFAOYSA-N
Boiling Point:	140-145 °C
Density:	1.01 g/cm³
MDL:	MFCD00006497
LogP:	0.25840

Publication Number	Title	Priority Date
CN-112430342-A	Electrolyte ion exchange membrane for fuel cell and preparation method thereof	20201130
WO-2021152149-A1	Ras inhibitors and methods of using the same	20200131
WO-2020132483-A1	Rifamycin analogs and antibody-drug conjugates thereof	20181221
US-2020368361-A1	Rifamycin analogs and antibody-drug conjugates thereof	20181221
CN-113226470-A	Rifamycin analogs and antibody-drug conjugates thereof	20181221

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.115364102
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3