4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol

C28H40ClNO3S — CID 59549844

IUPAC4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol
SMILESCC(CCCCc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)CCS(=O)(=O)C(C)C
InChIInChI=1S/C28H40ClNO3S/c1-22(2)34(32,33)21-16-23(3)6-4-5-7-24-8-14-27(15-9-24)30-19-17-28(31,18-20-30)25-10-12-26(29)13-11-25/h8-15,22-23,31H,4-7,16-21H2,1-3H3
InChIKeyUNVYUJGIQNMNQV-UHFFFAOYSA-N
MW506.15 g/mol
LogP6.39
Rot. Bonds11

About 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol (PubChem CID 59549844) has the molecular formula C28H40ClNO3S and a molecular weight of 506.15 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol
PubChem CID59549844
Molecular FormulaC28H40ClNO3S
Molecular Weight506.15 g/mol
Exact Mass505.24
IUPAC Name4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol
SMILESCC(CCCCc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)CCS(=O)(=O)C(C)C
InChIInChI=1S/C28H40ClNO3S/c1-22(2)34(32,33)21-16-23(3)6-4-5-7-24-8-14-27(15-9-24)30-19-17-28(31,18-20-30)25-10-12-26(29)13-11-25/h8-15,22-23,31H,4-7,16-21H2,1-3H3
InChIKeyUNVYUJGIQNMNQV-UHFFFAOYSA-N
XLogP6.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.15
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-7-propan-2-ylsulfonylheptan-2-one
CID 58145755
4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
CID 59545535
4-(4-chlorophenyl)-1-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]piperidin-4-ol
CID 59545807
1-methyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]piperazine
CID 59545521
7-tert-butylsulfonyl-1-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]heptan-2-one
CID 58144917
N-[5-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-methylanilino]pentyl]propane-2-sulfonamide
CID 70939255
1-[4-[2-[4-(tert-butylsulfanylmethyl)cyclohexyl]ethyl]phenyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 59545212
4-(4-chlorophenyl)-1-(4-propylphenyl)sulfonylpiperidin-4-ol
CID 6733445
N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20630265
(2S,6R)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]morpholine
CID 59546337
4-(4-chlorophenyl)-1-(3-phenylpropyl)piperidin-4-ol
CID 10892851
7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid
CID 23047802

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol (CID 59549844) is 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol is CC(CCCCc1ccc(N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1)CCS(=O)(=O)C(C)C.
What is the InChIKey of 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol?
The InChIKey is UNVYUJGIQNMNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40ClNO3S/c1-22(2)34(32,33)21-16-23(3)6-4-5-7-24-8-14-27(15-9-24)30-19-17-28(31,18-20-30)25-10-12-26(29)13-11-25/h8-15,22-23,31H,4-7,16-21H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol has a molecular weight of 506.15 g/mol, XLogP of 6.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[4-(5-methyl-7-propan-2-ylsulfonylheptyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 59549844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).