4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol

C24H32ClNO — CID 59545535

IUPAC4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
SMILESCCCCCCCc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H32ClNO/c1-2-3-4-5-6-7-20-8-14-23(15-9-20)26-18-16-24(27,17-19-26)21-10-12-22(25)13-11-21/h8-15,27H,2-7,16-19H2,1H3
InChIKeyQYDJUWADOZVNON-UHFFFAOYSA-N
MW385.98 g/mol
LogP6.34
Rot. Bonds8

About 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol

4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol (PubChem CID 59545535) has the molecular formula C24H32ClNO and a molecular weight of 385.98 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
PubChem CID59545535
Molecular FormulaC24H32ClNO
Molecular Weight385.98 g/mol
Exact Mass385.22
IUPAC Name4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
SMILESCCCCCCCc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C24H32ClNO/c1-2-3-4-5-6-7-20-8-14-23(15-9-20)26-18-16-24(27,17-19-26)21-10-12-22(25)13-11-21/h8-15,27H,2-7,16-19H2,1H3
InChIKeyQYDJUWADOZVNON-UHFFFAOYSA-N
XLogP6.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol
CID 59545807
4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol
CID 59549844
1-[4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]phenyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 59545212
1-(4-pentylphenyl)pyrrolidine
CID 168512151
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
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
CID 6733445
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid
CID 46199361
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
1-(4-heptylphenyl)piperidin-4-one
CID 59549861

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol (CID 59545535) is 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol is CCCCCCCc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol?
The InChIKey is QYDJUWADOZVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO/c1-2-3-4-5-6-7-20-8-14-23(15-9-20)26-18-16-24(27,17-19-26)21-10-12-22(25)13-11-21/h8-15,27H,2-7,16-19H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol has a molecular weight of 385.98 g/mol, XLogP of 6.34, 8 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-heptylphenyl)piperidin-4-ol is sourced from PubChem (CID 59545535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).