[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone

C16H24N2O — CID 114960355

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(C)C(CN)C2)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-13(3)15(8-11)16(19)18-7-6-12(2)14(9-17)10-18/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3
InChIKeyJCVWURZCHGNVEE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.36
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 114960355) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
PubChem CID114960355
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCC(C)C(CN)C2)c1
InChIInChI=1S/C16H24N2O/c1-11-4-5-13(3)15(8-11)16(19)18-7-6-12(2)14(9-17)10-18/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3
InChIKeyJCVWURZCHGNVEE-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 114960337
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dibromophenyl)methanone
CID 114960521
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 114960623
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone (CID 114960355) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CCC(C)C(CN)C2)c1.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is JCVWURZCHGNVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-4-5-13(3)15(8-11)16(19)18-7-6-12(2)14(9-17)10-18/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 114960355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).