1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one

C15H30N2O — CID 119467507

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)N1CCCCC1CN
InChIInChI=1S/C15H30N2O/c1-3-5-8-13(4-2)11-15(18)17-10-7-6-9-14(17)12-16/h13-14H,3-12,16H2,1-2H3
InChIKeyWBIJXJQVKGAMKJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds7

About 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one

1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one (PubChem CID 119467507) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
PubChem CID119467507
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
SMILESCCCCC(CC)CC(=O)N1CCCCC1CN
InChIInChI=1S/C15H30N2O/c1-3-5-8-13(4-2)11-15(18)17-10-7-6-9-14(17)12-16/h13-14H,3-12,16H2,1-2H3
InChIKeyWBIJXJQVKGAMKJ-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-(3-ethylheptanoyl)piperidine-4-carboxylic acid
CID 119166750
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119634132
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119466885
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
1-[3-(aminomethyl)pentanoyl]azepane-2-carboxylic acid
CID 81079150
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119466435
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119469367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one (CID 119467507) is 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one is CCCCC(CC)CC(=O)N1CCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one?
The InChIKey is WBIJXJQVKGAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-8-13(4-2)11-15(18)17-10-7-6-9-14(17)12-16/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one is sourced from PubChem (CID 119467507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).