(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

C14H19ClN2O — CID 107098081

IUPAC(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17-8-4-5-11(9-17)16-2/h3,6-7,11,16H,4-5,8-9H2,1-2H3
InChIKeyCDZWJYDSQVCTJP-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.47
Rot. Bonds2

About (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 107098081) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID107098081
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(Cl)c2C)C1
InChIInChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17-8-4-5-11(9-17)16-2/h3,6-7,11,16H,4-5,8-9H2,1-2H3
InChIKeyCDZWJYDSQVCTJP-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 107098081) is (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cccc(Cl)c2C)C1.
What is the InChIKey of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is CDZWJYDSQVCTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-12(6-3-7-13(10)15)14(18)17-8-4-5-11(9-17)16-2/h3,6-7,11,16H,4-5,8-9H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 266.77 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107098081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).