(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol

C23H27N3O — CID 95875963

IUPAC(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
SMILESO[C@@H](Cc1ccccc1)C1CCN(Cc2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c27-23(17-19-7-3-1-4-8-19)20-12-15-25(16-13-20)18-22-11-14-24-26(22)21-9-5-2-6-10-21/h1-11,14,20,23,27H,12-13,15-18H2/t23-/m0/s1
InChIKeyZBWXUAMKJDMDCJ-QHCPKHFHSA-N
MW361.49 g/mol
LogP3.69
Rot. Bonds6

About (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol

(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol (PubChem CID 95875963) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
PubChem CID95875963
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol
SMILESO[C@@H](Cc1ccccc1)C1CCN(Cc2ccnn2-c2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c27-23(17-19-7-3-1-4-8-19)20-12-15-25(16-13-20)18-22-11-14-24-26(22)21-9-5-2-6-10-21/h1-11,14,20,23,27H,12-13,15-18H2/t23-/m0/s1
InChIKeyZBWXUAMKJDMDCJ-QHCPKHFHSA-N
XLogP3.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 131889434
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50950341
2-[[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methyl]benzoic acid
CID 77097741
(1R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-phenylethanol
CID 28735300
(1R)-1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-phenylethanol
CID 99955881
N-methyl-1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 120834032
1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195639
(3R,4S)-4-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 164690116
1-[1-[(3-methylimidazo[1,5-a]pyridin-1-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 56913721
1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol
CID 45174481
4-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 95888868
2-[[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]methyl]quinolin-8-ol
CID 95215735

Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol (CID 95875963) is (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol is O[C@@H](Cc1ccccc1)C1CCN(Cc2ccnn2-c2ccccc2)CC1.
What is the InChIKey of (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol?
The InChIKey is ZBWXUAMKJDMDCJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(17-19-7-3-1-4-8-19)20-12-15-25(16-13-20)18-22-11-14-24-26(22)21-9-5-2-6-10-21/h1-11,14,20,23,27H,12-13,15-18H2/t23-/m0/s1.
What are the key properties of (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol?
(1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol has a molecular weight of 361.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 95875963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).