1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one

C14H28N2O — CID 119596793

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
SMILESCC(C)C(C)CC(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C14H28N2O/c1-10(2)11(3)8-14(17)16-7-5-6-13(9-16)12(4)15/h10-13H,5-9,15H2,1-4H3
InChIKeyHDAWRHWLJZREIC-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.25
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one

1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one (PubChem CID 119596793) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
PubChem CID119596793
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
SMILESCC(C)C(C)CC(=O)N1CCCC(C(C)N)C1
InChIInChI=1S/C14H28N2O/c1-10(2)11(3)8-14(17)16-7-5-6-13(9-16)12(4)15/h10-13H,5-9,15H2,1-4H3
InChIKeyHDAWRHWLJZREIC-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
1-[3-(1-aminoethyl)piperidin-1-yl]-3-benzyl-4-phenylbutan-1-one;hydrochloride
CID 119595280
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-ethylphenyl)butan-1-one
CID 119593639
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
(3R)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-bromophenyl)butan-1-one
CID 124592419
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(diethylamino)ethylsulfanyl]ethanone
CID 119594069
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119592618
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119596061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one (CID 119596793) is 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one is CC(C)C(C)CC(=O)N1CCCC(C(C)N)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one?
The InChIKey is HDAWRHWLJZREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)11(3)8-14(17)16-7-5-6-13(9-16)12(4)15/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one?
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one is sourced from PubChem (CID 119596793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).