[1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone

C15H18ClNO — CID 60643392

IUPAC[1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO/c16-13-6-4-12(5-7-13)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2
InChIKeyGGAHPALPMLZWKR-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.38
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone

[1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 60643392) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID60643392
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name[1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H18ClNO/c16-13-6-4-12(5-7-13)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2
InChIKeyGGAHPALPMLZWKR-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.38
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]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone (CID 60643392) is [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is GGAHPALPMLZWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-13-6-4-12(5-7-13)15(8-9-15)14(18)17-10-2-1-3-11-17/h4-7H,1-3,8-11H2.
What are the key properties of [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone?
[1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 263.77 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 60643392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).