(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol

C17H22ClN3O — CID 97069134

IUPAC(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
SMILESCc1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1
InChIInChI=1S/C17H22ClN3O/c1-12-9-16(20-19-12)13-5-4-8-21(10-13)11-17(22)14-6-2-3-7-15(14)18/h2-3,6-7,9,13,17,22H,4-5,8,10-11H2,1H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyPRKSZJHTIRGYNU-DYVFJYSZSA-N
MW319.84 g/mol
LogP3.28
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol

(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol (PubChem CID 97069134) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
PubChem CID97069134
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
SMILESCc1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1
InChIInChI=1S/C17H22ClN3O/c1-12-9-16(20-19-12)13-5-4-8-21(10-13)11-17(22)14-6-2-3-7-15(14)18/h2-3,6-7,9,13,17,22H,4-5,8,10-11H2,1H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyPRKSZJHTIRGYNU-DYVFJYSZSA-N
XLogP3.28
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 71926965
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
4-[(2S)-2-hydroxy-3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propoxy]benzonitrile
CID 97069128
[3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazol-5-yl]methanol
CID 95842997
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
(2R)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 100866973
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 71932950
(3S)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-[(S)-phenylsulfinyl]ethyl]piperidine
CID 98785277
(3S)-1-[2-(benzenesulfonyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)piperidine
CID 96514152

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol (CID 97069134) is (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol is Cc1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol?
The InChIKey is PRKSZJHTIRGYNU-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12-9-16(20-19-12)13-5-4-8-21(10-13)11-17(22)14-6-2-3-7-15(14)18/h2-3,6-7,9,13,17,22H,4-5,8,10-11H2,1H3,(H,19,20)/t13-,17+/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol?
(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol has a molecular weight of 319.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 97069134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).