[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone

C15H21ClN2O — CID 106862177

IUPAC[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2C(C)CCCC2CN)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-6-7-13(14(16)8-10)15(19)18-11(2)4-3-5-12(18)9-17/h6-8,11-12H,3-5,9,17H2,1-2H3
InChIKeyDSFFLJDMOMJHRB-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.99
Rot. Bonds2

About [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone

[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone (PubChem CID 106862177) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
PubChem CID106862177
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2C(C)CCCC2CN)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-6-7-13(14(16)8-10)15(19)18-11(2)4-3-5-12(18)9-17/h6-8,11-12H,3-5,9,17H2,1-2H3
InChIKeyDSFFLJDMOMJHRB-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 885739
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102884019
(2-bromo-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103848525
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
[2-(aminomethyl)-6-methylpiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103120796
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158
(2-chloro-4-methylphenyl)-[(2S,5S)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 100628404
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 80537943
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
6-[2-(aminomethyl)-6-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 114040275

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone (CID 106862177) is [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2C(C)CCCC2CN)c(Cl)c1.
What is the InChIKey of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
The InChIKey is DSFFLJDMOMJHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-6-7-13(14(16)8-10)15(19)18-11(2)4-3-5-12(18)9-17/h6-8,11-12H,3-5,9,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone?
[2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone has a molecular weight of 280.80 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylpiperidin-1-yl]-(2-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 106862177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).