1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one

C15H30N2O — CID 103441005

IUPAC1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC1CCN(C(=O)CC(C)C(C)(C)C)C(CN)C1
InChIInChI=1S/C15H30N2O/c1-11-6-7-17(13(8-11)10-16)14(18)9-12(2)15(3,4)5/h11-13H,6-10,16H2,1-5H3
InChIKeyFDUHJJYETXKGNH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one (PubChem CID 103441005) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
PubChem CID103441005
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
SMILESCC1CCN(C(=O)CC(C)C(C)(C)C)C(CN)C1
InChIInChI=1S/C15H30N2O/c1-11-6-7-17(13(8-11)10-16)14(18)9-12(2)15(3,4)5/h11-13H,6-10,16H2,1-5H3
InChIKeyFDUHJJYETXKGNH-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
CID 103440808
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylsulfonylethanone
CID 103440864
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 103441340
(2R)-2-amino-1-[2-(aminomethyl)-4-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130743724
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 103440873
1-[2-(chloromethyl)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 63833326
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212829
N'-hydroxy-1-(3,4,4-trimethylpentanoyl)pyrrolidine-2-carboximidamide
CID 77036440
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 103441123
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 103440872

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one (CID 103441005) is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one is CC1CCN(C(=O)CC(C)C(C)(C)C)C(CN)C1.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one?
The InChIKey is FDUHJJYETXKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-6-7-17(13(8-11)10-16)14(18)9-12(2)15(3,4)5/h11-13H,6-10,16H2,1-5H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one?
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one is sourced from PubChem (CID 103441005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).