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

C15H21ClN2O — CID 107098111

IUPAC(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H21ClN2O/c1-11-13(7-5-8-14(11)16)15(19)18-9-4-3-6-12(18)10-17-2/h5,7-8,12,17H,3-4,6,9-10H2,1-2H3
InChIKeyROMNMZMQQILAAJ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.86
Rot. Bonds3

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

(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 107098111) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID107098111
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1cccc(Cl)c1C
InChIInChI=1S/C15H21ClN2O/c1-11-13(7-5-8-14(11)16)15(19)18-9-4-3-6-12(18)10-17-2/h5,7-8,12,17H,3-4,6,9-10H2,1-2H3
InChIKeyROMNMZMQQILAAJ-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
(3-bromo-2-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484495
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
(3-chloro-4-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 66483205
(2-chloro-3-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650488
(2-ethoxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249422
1-(3-chloro-2-methylbenzoyl)piperidine-2-carbothioamide
CID 107096844
[2-(chloromethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830458
(2S)-1-(3-chloro-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 107095991
[2-(methylaminomethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808516
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649893
(2-chloro-4-iodophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649835

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 107098111) is (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1cccc(Cl)c1C.
What is the InChIKey of (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is ROMNMZMQQILAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-13(7-5-8-14(11)16)15(19)18-9-4-3-6-12(18)10-17-2/h5,7-8,12,17H,3-4,6,9-10H2,1-2H3.
What are the key properties of (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 280.80 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107098111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).