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

C13H26N2O — CID 107159961

IUPAC1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C13H26N2O/c1-4-5-11(2)12(16)15-8-6-13(3,10-14)7-9-15/h11H,4-10,14H2,1-3H3
InChIKeyBFUGLOAPESPWDY-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds4

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

1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one (PubChem CID 107159961) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
PubChem CID107159961
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)C(=O)N1CCC(C)(CN)CC1
InChIInChI=1S/C13H26N2O/c1-4-5-11(2)12(16)15-8-6-13(3,10-14)7-9-15/h11H,4-10,14H2,1-3H3
InChIKeyBFUGLOAPESPWDY-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-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 107160042
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methylhexan-1-one;hydrochloride
CID 120803884
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
CID 107160523
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-butylsulfanylpropan-1-one;hydrochloride
CID 120804750
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-4-phenoxybutan-1-one
CID 120808139
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
1-[4-(1-bromoethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 106839235
2-[4-(2-methylpentanoyl)piperazin-1-yl]acetic acid
CID 43521431
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one (CID 107159961) is 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one is CCCC(C)C(=O)N1CCC(C)(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is BFUGLOAPESPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-11(2)12(16)15-8-6-13(3,10-14)7-9-15/h11H,4-10,14H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one?
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-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-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 107159961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).