4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride

C23H30ClN — CID 3030621

IUPAC4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
SMILESCl.c1ccc(C2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1
InChIInChI=1S/C23H29N.ClH/c1-4-10-20(11-5-1)21-14-18-24(19-15-21)23(16-8-3-9-17-23)22-12-6-2-7-13-22;/h1-2,4-7,10-13,21H,3,8-9,14-19H2;1H
InChIKeyPPSQDFBMEKWNIX-UHFFFAOYSA-N
MW355.95 g/mol
LogP6.15
Rot. Bonds3

About 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride

4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride (PubChem CID 3030621) has the molecular formula C23H30ClN and a molecular weight of 355.95 g/mol. Its IUPAC name is 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
PubChem CID3030621
Molecular FormulaC23H30ClN
Molecular Weight355.95 g/mol
Exact Mass355.21
IUPAC Name4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
SMILESCl.c1ccc(C2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1
InChIInChI=1S/C23H29N.ClH/c1-4-10-20(11-5-1)21-14-18-24(19-15-21)23(16-8-3-9-17-23)22-12-6-2-7-13-22;/h1-2,4-7,10-13,21H,3,8-9,14-19H2;1H
InChIKeyPPSQDFBMEKWNIX-UHFFFAOYSA-N
XLogP6.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.95
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride?
The IUPAC name of 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride (CID 3030621) is 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride.
What is the SMILES notation for 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride?
The canonical SMILES for 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride is Cl.c1ccc(C2CCN(C3(c4ccccc4)CCCCC3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride?
The InChIKey is PPSQDFBMEKWNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N.ClH/c1-4-10-20(11-5-1)21-14-18-24(19-15-21)23(16-8-3-9-17-23)22-12-6-2-7-13-22;/h1-2,4-7,10-13,21H,3,8-9,14-19H2;1H.
What are the key properties of 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride?
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride has a molecular weight of 355.95 g/mol, XLogP of 6.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride is sourced from PubChem (CID 3030621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).