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

C16H24N2O2 — CID 110909523

IUPAC2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-14(17)16(20)18-10-8-13(9-11-18)15(19)12-6-4-3-5-7-12/h3-7,13-15,19H,2,8-11,17H2,1H3
InChIKeyWYZCFAYYNMZSDP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds4

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

2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 110909523) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
PubChem CID110909523
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
SMILESCCC(N)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-14(17)16(20)18-10-8-13(9-11-18)15(19)12-6-4-3-5-7-12/h3-7,13-15,19H,2,8-11,17H2,1H3
InChIKeyWYZCFAYYNMZSDP-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
(2S)-2-amino-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 79024088
2-amino-1-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119321789
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111459544
(2S)-2-amino-1-(3-phenylpyrrolidin-1-yl)butan-1-one
CID 79023414
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55590117
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
CID 111439401

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one (CID 110909523) is 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one is CCC(N)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is WYZCFAYYNMZSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-14(17)16(20)18-10-8-13(9-11-18)15(19)12-6-4-3-5-7-12/h3-7,13-15,19H,2,8-11,17H2,1H3.
What are the key properties of 2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one?
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.70, 4 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]butan-1-one is sourced from PubChem (CID 110909523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).