[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone

C15H22N2O — CID 28706771

IUPAC[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)CC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-3-4-14(9-12(11)2)15(18)17-7-5-13(10-16)6-8-17/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyQJQGCKLAMJNMNS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.11
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone

[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone (PubChem CID 28706771) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
PubChem CID28706771
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)CC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-3-4-14(9-12(11)2)15(18)17-7-5-13(10-16)6-8-17/h3-4,9,13H,5-8,10,16H2,1-2H3
InChIKeyQJQGCKLAMJNMNS-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[4-[(3,4-dimethoxyphenyl)methyl]piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 110289562
1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
methyl 3-[4-(aminomethyl)piperidine-1-carbonyl]benzoate
CID 176515172
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone (CID 28706771) is [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CN)CC2)cc1C.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
The InChIKey is QJQGCKLAMJNMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-3-4-14(9-12(11)2)15(18)17-7-5-13(10-16)6-8-17/h3-4,9,13H,5-8,10,16H2,1-2H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 28706771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).