[1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone

C21H22ClNO — CID 11695794

IUPAC[1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCCC(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClNO/c22-19-10-8-18(9-11-19)21(12-13-21)20(24)23-14-4-7-17(15-23)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2
InChIKeyDKSRXENEYIXSMN-UHFFFAOYSA-N
MW339.87 g/mol
LogP4.78
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone

[1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone (PubChem CID 11695794) has the molecular formula C21H22ClNO and a molecular weight of 339.87 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
PubChem CID11695794
Molecular FormulaC21H22ClNO
Molecular Weight339.87 g/mol
Exact Mass339.14
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone
SMILESO=C(N1CCCC(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClNO/c22-19-10-8-18(9-11-19)21(12-13-21)20(24)23-14-4-7-17(15-23)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2
InChIKeyDKSRXENEYIXSMN-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone (CID 11695794) is [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone is O=C(N1CCCC(c2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone?
The InChIKey is DKSRXENEYIXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO/c22-19-10-8-18(9-11-19)21(12-13-21)20(24)23-14-4-7-17(15-23)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-15H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone?
[1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone has a molecular weight of 339.87 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-(3-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 11695794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).