[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone

C14H19ClN2O — CID 112701234

IUPAC[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(CN)C2)ccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-7-12(4-5-13(10)15)14(18)17-6-2-3-11(8-16)9-17/h4-5,7,11H,2-3,6,8-9,16H2,1H3
InChIKeyMNEJGDLAJSYQRA-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.46
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone

[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone (PubChem CID 112701234) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
PubChem CID112701234
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCC(CN)C2)ccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-7-12(4-5-13(10)15)14(18)17-6-2-3-11(8-16)9-17/h4-5,7,11H,2-3,6,8-9,16H2,1H3
InChIKeyMNEJGDLAJSYQRA-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
(4-chloro-3-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706030
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
methyl (3S)-1-(4-chloro-3-methylbenzoyl)piperidine-3-carboxylate
CID 103760234
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-5-fluoro-4-methylphenyl)methanone
CID 117044940
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone (CID 112701234) is [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCC(CN)C2)ccc1Cl.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
The InChIKey is MNEJGDLAJSYQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-7-12(4-5-13(10)15)14(18)17-6-2-3-11(8-16)9-17/h4-5,7,11H,2-3,6,8-9,16H2,1H3.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone has a molecular weight of 266.77 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 112701234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).