(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone

C14H18ClNO — CID 2843209

IUPAC(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO/c1-10-7-11(2)9-16(8-10)14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyAOPJBTCNYGCXKQ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.46
Rot. Bonds1

About (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone

(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 2843209) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID2843209
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H18ClNO/c1-10-7-11(2)9-16(8-10)14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyAOPJBTCNYGCXKQ-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 2843209) is (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is AOPJBTCNYGCXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10-7-11(2)9-16(8-10)14(17)12-3-5-13(15)6-4-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone?
(4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 251.76 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 2843209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).