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

C17H26N2O — CID 119817681

IUPAC3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
SMILESCCC1CN(C(=O)CC(C)N)CCC1c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-14-12-19(17(20)11-13(2)18)10-9-16(14)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12,18H2,1-2H3
InChIKeyBQIIENDPFWZLNH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.77
Rot. Bonds4

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

3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one (PubChem CID 119817681) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
PubChem CID119817681
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
SMILESCCC1CN(C(=O)CC(C)N)CCC1c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-14-12-19(17(20)11-13(2)18)10-9-16(14)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12,18H2,1-2H3
InChIKeyBQIIENDPFWZLNH-UHFFFAOYSA-N
XLogP2.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
1-(3-amino-4-phenylpiperidin-1-yl)butan-1-one
CID 165440593
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
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
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-ethyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
CID 119817666
2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one (CID 119817681) is 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one is CCC1CN(C(=O)CC(C)N)CCC1c1ccccc1.
What is the InChIKey of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one?
The InChIKey is BQIIENDPFWZLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-14-12-19(17(20)11-13(2)18)10-9-16(14)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12,18H2,1-2H3.
What are the key properties of 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one?
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 119817681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).