4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol

C27H30ClNO — CID 59545807

IUPAC4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol
SMILESCc1ccc(CCc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)cc1C
InChIInChI=1S/C27H30ClNO/c1-20-3-4-23(19-21(20)2)6-5-22-7-13-26(14-8-22)29-17-15-27(30,16-18-29)24-9-11-25(28)12-10-24/h3-4,7-14,19,30H,5-6,15-18H2,1-2H3
InChIKeyGMZHMTVKYZHJAP-UHFFFAOYSA-N
MW420.00 g/mol
LogP6.23
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol (PubChem CID 59545807) has the molecular formula C27H30ClNO and a molecular weight of 420.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol
PubChem CID59545807
Molecular FormulaC27H30ClNO
Molecular Weight420.00 g/mol
Exact Mass419.20
IUPAC Name4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol
SMILESCc1ccc(CCc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)cc1C
InChIInChI=1S/C27H30ClNO/c1-20-3-4-23(19-21(20)2)6-5-22-7-13-26(14-8-22)29-17-15-27(30,16-18-29)24-9-11-25(28)12-10-24/h3-4,7-14,19,30H,5-6,15-18H2,1-2H3
InChIKeyGMZHMTVKYZHJAP-UHFFFAOYSA-N
XLogP6.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.00
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-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

4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
CID 59545535
1-[4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]phenyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 59545212
4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol
CID 59549844
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
7-tert-butylsulfonyl-1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]heptan-2-one
CID 58144917
1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-7-propan-2-ylsulfonylheptan-2-one
CID 58145755
N-[5-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylanilino]pentyl]propane-2-sulfonamide
CID 70939255
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
CID 6733445
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
4-(3-chloro-4-methylphenyl)-1-ethylpiperidin-4-ol
CID 107559480

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol (CID 59545807) is 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol is Cc1ccc(CCc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)cc1C.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol?
The InChIKey is GMZHMTVKYZHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClNO/c1-20-3-4-23(19-21(20)2)6-5-22-7-13-26(14-8-22)29-17-15-27(30,16-18-29)24-9-11-25(28)12-10-24/h3-4,7-14,19,30H,5-6,15-18H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol has a molecular weight of 420.00 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 59545807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).