1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one

C15H22N2O — CID 165440593

IUPAC1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(c2ccccc2)C(N)C1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)17-10-9-13(14(16)11-17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11,16H2,1H3
InChIKeyNUHSYONURXERAM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.13
Rot. Bonds3

About 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one

1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 165440593) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
PubChem CID165440593
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
SMILESCCCC(=O)N1CCC(c2ccccc2)C(N)C1
InChIInChI=1S/C15H22N2O/c1-2-6-15(18)17-10-9-13(14(16)11-17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11,16H2,1H3
InChIKeyNUHSYONURXERAM-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

3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
1-(3-ethyl-4-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 84585365
methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 95935159
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
(3S,4R)-1-(1-butanoylpiperidin-4-yl)-4-phenylpyrrolidine-3-carboxylic acid
CID 72859365
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120749123

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one (CID 165440593) is 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one is CCCC(=O)N1CCC(c2ccccc2)C(N)C1.
What is the InChIKey of 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is NUHSYONURXERAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-6-15(18)17-10-9-13(14(16)11-17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11,16H2,1H3.
What are the key properties of 1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one?
1-(3-amino-4-phenylpiperidin-1-yl)butan-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-(3-amino-4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 165440593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).