2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone

C14H18ClNO — CID 116569296

IUPAC2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2ccc(Cl)cc2)CCCNC1
InChIInChI=1S/C14H18ClNO/c1-14(7-2-8-16-10-14)13(17)9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyVKOYMZQFUVYRCU-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.84
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone

2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone (PubChem CID 116569296) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
PubChem CID116569296
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)Cc2ccc(Cl)cc2)CCCNC1
InChIInChI=1S/C14H18ClNO/c1-14(7-2-8-16-10-14)13(17)9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3
InChIKeyVKOYMZQFUVYRCU-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone (CID 116569296) is 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone is CC1(C(=O)Cc2ccc(Cl)cc2)CCCNC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone?
The InChIKey is VKOYMZQFUVYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-14(7-2-8-16-10-14)13(17)9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone?
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone has a molecular weight of 251.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).