2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one

C15H22N2O2 — CID 62488931

IUPAC2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCCC(CO)C1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(16,13-7-3-2-4-8-13)14(19)17-9-5-6-12(10-17)11-18/h2-4,7-8,12,18H,5-6,9-11,16H2,1H3
InChIKeyNRJYUZBQLYGFBG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 62488931) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID62488931
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)(C(=O)N1CCCC(CO)C1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-15(16,13-7-3-2-4-8-13)14(19)17-9-5-6-12(10-17)11-18/h2-4,7-8,12,18H,5-6,9-11,16H2,1H3
InChIKeyNRJYUZBQLYGFBG-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-2-phenylpropan-1-one
CID 120592446
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one (CID 62488931) is 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one is CC(N)(C(=O)N1CCCC(CO)C1)c1ccccc1.
What is the InChIKey of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is NRJYUZBQLYGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(16,13-7-3-2-4-8-13)14(19)17-9-5-6-12(10-17)11-18/h2-4,7-8,12,18H,5-6,9-11,16H2,1H3.
What are the key properties of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 62488931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).