1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one

C15H22N2O — CID 72638559

IUPAC1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-5-3-2-4-6-13)11-15(18)17-9-7-14(16)8-10-17/h2-6,12,14H,7-11,16H2,1H3
InChIKeyGJKOPCFWHZEIEI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one

1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one (PubChem CID 72638559) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
PubChem CID72638559
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCC(N)CC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-5-3-2-4-6-13)11-15(18)17-9-7-14(16)8-10-17/h2-6,12,14H,7-11,16H2,1H3
InChIKeyGJKOPCFWHZEIEI-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
(3S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenylbutan-1-one
CID 129471018
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
(3S)-1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 125146575
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
2,2-dimethyl-1-[4-(3-phenylbutanoyl)piperazin-1-yl]propan-1-one
CID 134021523
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)butan-1-one
CID 104502322
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110628848

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one (CID 72638559) is 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one is CC(CC(=O)N1CCC(N)CC1)c1ccccc1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one?
The InChIKey is GJKOPCFWHZEIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(13-5-3-2-4-6-13)11-15(18)17-9-7-14(16)8-10-17/h2-6,12,14H,7-11,16H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one?
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one is sourced from PubChem (CID 72638559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).