2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one

C15H22N2O2 — CID 110909513

IUPAC2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-11(16)15(19)17-9-7-13(8-10-17)14(18)12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10,16H2,1H3
InChIKeyQSLXEIALHLMDLN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.31
Rot. Bonds3

About 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one

2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 110909513) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
PubChem CID110909513
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-11(16)15(19)17-9-7-13(8-10-17)14(18)12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10,16H2,1H3
InChIKeyQSLXEIALHLMDLN-UHFFFAOYSA-N
XLogP1.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
(2S)-2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-one
CID 119321782
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
CID 111439401
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 111435943
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
2-(2-chlorophenyl)sulfanyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 55832752
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one (CID 110909513) is 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one is CC(N)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is QSLXEIALHLMDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)15(19)17-9-7-13(8-10-17)14(18)12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10,16H2,1H3.
What are the key properties of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one?
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110909513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).