(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride

C13H17Cl2NO — CID 154891669

IUPAC(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
SMILESCc1cc(Cl)ccc1C(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H16ClNO.ClH/c1-9-7-11(14)4-5-12(9)13(16)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3;1H
InChIKeyLVSHKDBYAHHJTF-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.25
Rot. Bonds2

About (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride

(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride (PubChem CID 154891669) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
PubChem CID154891669
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
SMILESCc1cc(Cl)ccc1C(=O)C1CCCNC1.Cl
InChIInChI=1S/C13H16ClNO.ClH/c1-9-7-11(14)4-5-12(9)13(16)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3;1H
InChIKeyLVSHKDBYAHHJTF-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(2,5-dichlorophenyl)-pyrrolidin-3-ylmethanone
CID 116568315
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
(5-chloro-2-fluorophenyl)-pyrrolidin-3-ylmethanone
CID 116916892
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 82494175
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
CID 142738187

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride (CID 154891669) is (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride is Cc1cc(Cl)ccc1C(=O)C1CCCNC1.Cl.
What is the InChIKey of (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is LVSHKDBYAHHJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO.ClH/c1-9-7-11(14)4-5-12(9)13(16)10-3-2-6-15-8-10;/h4-5,7,10,15H,2-3,6,8H2,1H3;1H.
What are the key properties of (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride?
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 274.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 154891669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).