1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one

C13H26N2O — CID 63766130

IUPAC1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC(CCN)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-12(16)15-8-4-5-11(10-15)6-7-14/h11H,4-10,14H2,1-3H3
InChIKeyBRJXFGAVTXXJEN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

About 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 63766130) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID63766130
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCCC(CCN)C1
InChIInChI=1S/C13H26N2O/c1-13(2,3)9-12(16)15-8-4-5-11(10-15)6-7-14/h11H,4-10,14H2,1-3H3
InChIKeyBRJXFGAVTXXJEN-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
1-[3-(bromomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 80660591
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 64683995
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 114801720
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
1-[3-(2-aminoethyl)piperidin-1-yl]but-2-en-1-one
CID 77015507
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 63766130) is 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCCC(CCN)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is BRJXFGAVTXXJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,3)9-12(16)15-8-4-5-11(10-15)6-7-14/h11H,4-10,14H2,1-3H3.
What are the key properties of 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 63766130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).