1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one

C13H26N2O — CID 103440808

IUPAC1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(C)CC1CN
InChIInChI=1S/C13H26N2O/c1-10(2)4-5-13(16)15-7-6-11(3)8-12(15)9-14/h10-12H,4-9,14H2,1-3H3
InChIKeyATTQLLAOYORWSY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one (PubChem CID 103440808) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
PubChem CID103440808
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one
SMILESCC(C)CCC(=O)N1CCC(C)CC1CN
InChIInChI=1S/C13H26N2O/c1-10(2)4-5-13(16)15-7-6-11(3)8-12(15)9-14/h10-12H,4-9,14H2,1-3H3
InChIKeyATTQLLAOYORWSY-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 103440873
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 103441005
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]-3-(3-methylphenyl)propan-1-one
CID 103441076
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 103440850
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
2-[(2S)-1-(4-methylpentanoyl)piperidin-2-yl]acetamide
CID 95296140
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butan-1-one
CID 103352029
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]-4-methylpentan-1-one?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one (CID 103440808) is 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one is CC(C)CCC(=O)N1CCC(C)CC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one?
The InChIKey is ATTQLLAOYORWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)4-5-13(16)15-7-6-11(3)8-12(15)9-14/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one?
1-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-methylpentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 4 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]-4-methylpentan-1-one is sourced from PubChem (CID 103440808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).