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

C13H26N2O — CID 119467538

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)N1CCCCC1CN
InChIInChI=1S/C13H26N2O/c1-3-11(4-2)9-13(16)15-8-6-5-7-12(15)10-14/h11-12H,3-10,14H2,1-2H3
InChIKeyOYHNJJOEKLKKOG-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds5

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

1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one (PubChem CID 119467538) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
PubChem CID119467538
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
SMILESCCC(CC)CC(=O)N1CCCCC1CN
InChIInChI=1S/C13H26N2O/c1-3-11(4-2)9-13(16)15-8-6-5-7-12(15)10-14/h11-12H,3-10,14H2,1-2H3
InChIKeyOYHNJJOEKLKKOG-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-ethylheptan-1-one
CID 119467507
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-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[3-(aminomethyl)pentanoyl]azepane-2-carboxylic acid
CID 81079150
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[2-(aminomethyl)azepan-1-yl]-4-methoxypentan-1-one
CID 116640028
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
CID 119466546
3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119802212
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one (CID 119467538) is 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one is CCC(CC)CC(=O)N1CCCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one?
The InChIKey is OYHNJJOEKLKKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-11(4-2)9-13(16)15-8-6-5-7-12(15)10-14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 5 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-ethylpentan-1-one is sourced from PubChem (CID 119467538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).