1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine

C27H34ClN — CID 172822790

IUPAC1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine
SMILESCC1CC(c2ccccc2)CCN1C1CC1c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C27H34ClN/c1-19-16-22(20-8-4-2-5-9-20)14-15-29(19)27-18-25(27)23-12-13-24(26(28)17-23)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,17,19,21-22,25,27H,3,6-7,10-11,14-16,18H2,1H3
InChIKeyULHXHMIEBKNJMM-UHFFFAOYSA-N
MW408.03 g/mol
LogP7.51
Rot. Bonds4

About 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine

1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine (PubChem CID 172822790) has the molecular formula C27H34ClN and a molecular weight of 408.03 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine
PubChem CID172822790
Molecular FormulaC27H34ClN
Molecular Weight408.03 g/mol
Exact Mass407.24
IUPAC Name1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine
SMILESCC1CC(c2ccccc2)CCN1C1CC1c1ccc(C2CCCCC2)c(Cl)c1
InChIInChI=1S/C27H34ClN/c1-19-16-22(20-8-4-2-5-9-20)14-15-29(19)27-18-25(27)23-12-13-24(26(28)17-23)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,17,19,21-22,25,27H,3,6-7,10-11,14-16,18H2,1H3
InChIKeyULHXHMIEBKNJMM-UHFFFAOYSA-N
XLogP7.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.03
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine?
The IUPAC name of 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine (CID 172822790) is 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine.
What is the SMILES notation for 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine?
The canonical SMILES for 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine is CC1CC(c2ccccc2)CCN1C1CC1c1ccc(C2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine?
The InChIKey is ULHXHMIEBKNJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN/c1-19-16-22(20-8-4-2-5-9-20)14-15-29(19)27-18-25(27)23-12-13-24(26(28)17-23)21-10-6-3-7-11-21/h2,4-5,8-9,12-13,17,19,21-22,25,27H,3,6-7,10-11,14-16,18H2,1H3.
What are the key properties of 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine?
1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine has a molecular weight of 408.03 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-cyclohexylphenyl)cyclopropyl]-2-methyl-4-phenylpiperidine is sourced from PubChem (CID 172822790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).