2,6-Dimethylpiperidin-4-ol - CAS 4733-70-4

Catalog:	BB026260
Product Name:	2,6-Dimethylpiperidin-4-ol
CAS:	4733-70-4
Synonyms:	2,6-dimethyl-4-piperidinol; 2,6-dimethylpiperidin-4-ol

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Computed Properties

IUPAC Name:	2,6-dimethylpiperidin-4-ol
Description:	2,6-Dimethylpiperidin-4-ol (CAS# 4733-70-4) is an isomer of 2,2-Dimethyl-4-piperidinol (D465900), an intermediate used to prepare diphenylpyraline derivatives with antimycobacterial activities.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	CC1CC(CC(N1)C)O
InChI:	InChI=1S/C7H15NO/c1-5-3-7(9)4-6(2)8-5/h5-9H,3-4H2,1-2H3
InChI Key:	IEMVEYRBXJCBBQ-UHFFFAOYSA-N
Boiling Point:	201.7 °C at 760 mmHg
Density:	0.926 g/cm³
MDL:	MFCD00771653
LogP:	0.83650

Publication Number	Title	Priority Date
WO-2017069270-A1	Nitrogen-containing condensed heterocyclic compound	20151022
WO-2016203112-A1	Spiro[cyclobutane-1,3'-indolin]-2'-one derivatives as bromodomain inhibitors	20150616
AU-2015222865-A1	TYK2 inhibitors and uses thereof	20140228
AU-2015222865-B2	TYK2 inhibitors and uses thereof	20140228
CN-106661039-B	2 (TYK2) inhibitor of tyrosine protein matter kinases and its purposes	20140228

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	84.9
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	129.115364102
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5