1-(4-Piperidyl)ethanol - CAS 6457-48-3

Catalog:	BB032507
Product Name:	1-(4-Piperidyl)ethanol
CAS:	6457-48-3
Synonyms:	1-(4-piperidinyl)ethanol; 1-piperidin-4-ylethanol

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-piperidin-4-ylethanol
Description:	1-(4-Piperidyl)ethanol (CAS# 6457-48-3) is used to prepare selective biaryl ethers as PDE10A inhibitors.
Molecular Weight:	129.20
Molecular Formula:	C7H15NO
Canonical SMILES:	CC(C1CCNCC1)O
InChI:	InChI=1S/C7H15NO/c1-6(9)7-2-4-8-5-3-7/h6-9H,2-5H2,1H3
InChI Key:	NDJKRLGXVKYIGQ-UHFFFAOYSA-N
Boiling Point:	208.8 °C at 760 mmHg
Density:	0.952 g/cm³
MDL:	MFCD17676096
LogP:	0.69560

Publication Number	Title	Priority Date
WO-2021051899-A1	Cyano-substituted cyclic hydrazine derivative and application thereof	20190916
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	79
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:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3