(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone

C13H16ClNO — CID 82341467

IUPAC(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
SMILESCc1cc(C(=O)C2CCCNC2)ccc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyUFDYYCVHPCGAPD-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.83
Rot. Bonds2

About (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone

(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone (PubChem CID 82341467) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
PubChem CID82341467
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
SMILESCc1cc(C(=O)C2CCCNC2)ccc1Cl
InChIInChI=1S/C13H16ClNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3
InChIKeyUFDYYCVHPCGAPD-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
(3,5-dichloro-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82550752
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
(4-chloro-3-methylphenyl)-(oxolan-3-yl)methanone
CID 114972047
methyl 4-chloro-3-[[(3R)-piperidine-3-carbonyl]amino]benzoate
CID 28807387
(3-ethoxyphenyl)-piperidin-3-ylmethanone
CID 116548107
(4-bromo-3-methylphenyl)-piperidin-4-ylmethanone
CID 82553719
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
furan-3-yl(piperidin-3-yl)methanone
CID 116548121
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone?
The IUPAC name of (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone (CID 82341467) is (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone is Cc1cc(C(=O)C2CCCNC2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone?
The InChIKey is UFDYYCVHPCGAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-7-10(4-5-12(9)14)13(16)11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone?
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone has a molecular weight of 237.73 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-piperidin-3-ylmethanone is sourced from PubChem (CID 82341467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).