4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol

C21H22ClN3O — CID 2812594

IUPAC4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C21H22ClN3O/c22-19-8-6-18(7-9-19)21(26)10-12-25(13-11-21)15-17-14-23-24-20(17)16-4-2-1-3-5-16/h1-9,14,26H,10-13,15H2,(H,23,24)
InChIKeyZXQHRBFBUMIXGG-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.21
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol (PubChem CID 2812594) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
PubChem CID2812594
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C21H22ClN3O/c22-19-8-6-18(7-9-19)21(26)10-12-25(13-11-21)15-17-14-23-24-20(17)16-4-2-1-3-5-16/h1-9,14,26H,10-13,15H2,(H,23,24)
InChIKeyZXQHRBFBUMIXGG-UHFFFAOYSA-N
XLogP4.21
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-ol
CID 7177644
1-benzhydryl-4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 3950108
(4S)-8-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97210863
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
[4-(3-phenylpropyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 42513645
4-(4-phenylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-4-ol
CID 122140252
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56884912
4-(4-chlorophenyl)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-4-ol
CID 42166450
N-[[(4R)-4-hydroxy-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azepan-4-yl]methyl]methanesulfonamide
CID 95715534
2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907721
(3S)-1-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129470465
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
CID 126799650

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol (CID 2812594) is 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is ZXQHRBFBUMIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-19-8-6-18(7-9-19)21(26)10-12-25(13-11-21)15-17-14-23-24-20(17)16-4-2-1-3-5-16/h1-9,14,26H,10-13,15H2,(H,23,24).
What are the key properties of 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 367.88 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 2812594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).