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

C16H24N2O — CID 115270727

IUPAC[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCCCC2(C)CN)c1
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(2)14(10-12)15(19)18-9-5-4-8-16(18,3)11-17/h6-7,10H,4-5,8-9,11,17H2,1-3H3
InChIKeyAKWKOLLJKNITMK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.65
Rot. Bonds2

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

[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone (PubChem CID 115270727) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
PubChem CID115270727
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
SMILESCc1ccc(C)c(C(=O)N2CCCCC2(C)CN)c1
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(2)14(10-12)15(19)18-9-5-4-8-16(18,3)11-17/h6-7,10H,4-5,8-9,11,17H2,1-3H3
InChIKeyAKWKOLLJKNITMK-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 115267174
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 115270537
(5-amino-2,2-dimethylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 115276339
(5-amino-2-methylphenyl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63216056
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 115266990
[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 115270508
1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595293
1-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 82115815
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
1-(2-amino-5-methylbenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070726
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80658369
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone (CID 115270727) is [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone is Cc1ccc(C)c(C(=O)N2CCCCC2(C)CN)c1.
What is the InChIKey of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
The InChIKey is AKWKOLLJKNITMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-7-13(2)14(10-12)15(19)18-9-5-4-8-16(18,3)11-17/h6-7,10H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone?
[2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-2-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115270727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).