1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol

C30H31Cl2N3O2 — CID 18930317

IUPAC1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol
SMILESOC(c1ccnn1-c1ccccc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C30H31Cl2N3O2/c31-26-12-11-22(21-27(26)32)25(29(36)28-13-17-33-35(28)24-9-5-2-6-10-24)14-18-34-19-15-30(37,16-20-34)23-7-3-1-4-8-23/h1-13,17,21,25,29,36-37H,14-16,18-20H2
InChIKeyWPQBFJKAQDUXLS-UHFFFAOYSA-N
MW536.50 g/mol
LogP6.37
Rot. Bonds8

About 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol

1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol (PubChem CID 18930317) has the molecular formula C30H31Cl2N3O2 and a molecular weight of 536.50 g/mol. Its IUPAC name is 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol
PubChem CID18930317
Molecular FormulaC30H31Cl2N3O2
Molecular Weight536.50 g/mol
Exact Mass535.18
IUPAC Name1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol
SMILESOC(c1ccnn1-c1ccccc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C30H31Cl2N3O2/c31-26-12-11-22(21-27(26)32)25(29(36)28-13-17-33-35(28)24-9-5-2-6-10-24)14-18-34-19-15-30(37,16-20-34)23-7-3-1-4-8-23/h1-13,17,21,25,29,36-37H,14-16,18-20H2
InChIKeyWPQBFJKAQDUXLS-UHFFFAOYSA-N
XLogP6.37
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.50
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(3-phenyltriazol-4-yl)butyl]-4-phenylpiperidin-4-yl]acetamide
CID 18930314
2-[2-[1-[4-acetyloxy-3-(3,4-dichlorophenyl)-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-yl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid
CID 67638423
(3,4-dichlorophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107329830
N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide
CID 19029370
2-[1-(3,4-dichlorophenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-3H-isoindol-1-one
CID 67662811
2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(5-phenyl-2H-triazol-4-yl)butan-1-one
CID 18930284
1-[3-(3,4-dichlorophenyl)-4-(ethylamino)butan-2-yl]-4-phenylpiperidin-4-ol;hydrochloride
CID 67824870
1-[3-(3,4-dichlorophenyl)-5-[(2,4-difluorophenyl)methoxy]-4-iminopentyl]-4-phenylpiperidin-4-ol
CID 163856889
N-[2-(3,4-dichlorophenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 22129672
[3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-2-iminopentyl] 3,5-bis(trifluoromethyl)benzoate
CID 162547082
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501484
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol (CID 18930317) is 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol is OC(c1ccnn1-c1ccccc1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol?
The InChIKey is WPQBFJKAQDUXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N3O2/c31-26-12-11-22(21-27(26)32)25(29(36)28-13-17-33-35(28)24-9-5-2-6-10-24)14-18-34-19-15-30(37,16-20-34)23-7-3-1-4-8-23/h1-13,17,21,25,29,36-37H,14-16,18-20H2.
What are the key properties of 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol?
1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol has a molecular weight of 536.50 g/mol, XLogP of 6.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dichlorophenyl)-4-hydroxy-4-(2-phenylpyrazol-3-yl)butyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 18930317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).