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

C21H26ClNO — CID 11609863

IUPAC4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C21H26ClNO/c22-20-11-9-19(10-12-20)21(24)13-16-23(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,24H,4-5,8,13-17H2
InChIKeyIYHFUJULQNQFMX-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.65
Rot. Bonds6

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

4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol (PubChem CID 11609863) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol
PubChem CID11609863
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C21H26ClNO/c22-20-11-9-19(10-12-20)21(24)13-16-23(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,24H,4-5,8,13-17H2
InChIKeyIYHFUJULQNQFMX-UHFFFAOYSA-N
XLogP4.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Trihexyphenidyl
CID 5572
Penfluridol
CID 33630
Chlophedianol
CID 2795
Pridinol
CID 4904
Trihexyphenidyl Hydrochloride
CID 66007
Diphenidol
CID 3055
Clobutinol
CID 26937
Diphenidol Hydrochloride
CID 66266
Eliprodil
CID 60703
4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
4-(4-Chlorophenyl)-alpha-(4-fluorophenyl)-4-hydroxy-1-piperidinebutanol
CID 119265
Cycrimine Hydrochloride
CID 101597

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol (CID 11609863) is 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol?
The InChIKey is IYHFUJULQNQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO/c22-20-11-9-19(10-12-20)21(24)13-16-23(17-14-21)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,24H,4-5,8,13-17H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol?
4-(4-chlorophenyl)-1-(4-phenylbutyl)piperidin-4-ol has a molecular weight of 343.90 g/mol, XLogP of 4.65, 6 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-phenylbutyl)piperidin-4-ol is sourced from PubChem (CID 11609863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).