1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol

C16H21N3O — CID 111110310

IUPAC1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
SMILESOC(CN1CCC(n2cccn2)CC1)c1ccccc1
InChIInChI=1S/C16H21N3O/c20-16(14-5-2-1-3-6-14)13-18-11-7-15(8-12-18)19-10-4-9-17-19/h1-6,9-10,15-16,20H,7-8,11-13H2
InChIKeyPGRQRZOMSCDYJV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds4

About 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol

1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol (PubChem CID 111110310) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
PubChem CID111110310
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
SMILESOC(CN1CCC(n2cccn2)CC1)c1ccccc1
InChIInChI=1S/C16H21N3O/c20-16(14-5-2-1-3-6-14)13-18-11-7-15(8-12-18)19-10-4-9-17-19/h1-6,9-10,15-16,20H,7-8,11-13H2
InChIKeyPGRQRZOMSCDYJV-UHFFFAOYSA-N
XLogP2.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
1-(2-hydroxy-2-phenylethyl)piperidine-4-carbonitrile
CID 48940005
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393943
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
2-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145394980
1-(3-chlorophenyl)-2-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]ethanol
CID 110019592
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
CID 91829068
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
CID 95751286

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol?
The IUPAC name of 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol (CID 111110310) is 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol is OC(CN1CCC(n2cccn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol?
The InChIKey is PGRQRZOMSCDYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(14-5-2-1-3-6-14)13-18-11-7-15(8-12-18)19-10-4-9-17-19/h1-6,9-10,15-16,20H,7-8,11-13H2.
What are the key properties of 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol?
1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol is sourced from PubChem (CID 111110310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).