4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one

C15H22N2O2 — CID 55204912

IUPAC4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
SMILESNC(CCC(=O)N1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(12-5-2-1-3-6-12)8-9-15(19)17-10-4-7-13(18)11-17/h1-3,5-6,13-14,18H,4,7-11,16H2
InChIKeyJPZKAZJWWRJMMW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds4

About 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one

4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one (PubChem CID 55204912) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
PubChem CID55204912
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one
SMILESNC(CCC(=O)N1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(12-5-2-1-3-6-12)8-9-15(19)17-10-4-7-13(18)11-17/h1-3,5-6,13-14,18H,4,7-11,16H2
InChIKeyJPZKAZJWWRJMMW-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
4-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 107217065
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
4-amino-1-[4-(dimethylamino)piperidin-1-yl]-4-phenylbutan-1-one
CID 63323897
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-4-phenylbutan-1-one
CID 65320455
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
(3R)-1-(3-amino-3-phenylpropanoyl)piperidine-3-carboxylic acid
CID 81120276
4-amino-1-(2-ethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 63324245
4-amino-1-[4-(methoxymethyl)piperidin-1-yl]-4-phenylbutan-1-one
CID 63978619
(4S)-4-amino-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-phenylbutan-1-one
CID 125146304
3-(2-aminophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107211694

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one (CID 55204912) is 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one is NC(CCC(=O)N1CCCC(O)C1)c1ccccc1.
What is the InChIKey of 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one?
The InChIKey is JPZKAZJWWRJMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(12-5-2-1-3-6-12)8-9-15(19)17-10-4-7-13(18)11-17/h1-3,5-6,13-14,18H,4,7-11,16H2.
What are the key properties of 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one?
4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxypiperidin-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 55204912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).