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

C16H25N3O — CID 122080668

IUPAC2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-12(17)13-7-6-10-19(11-13)15(20)16(2,18)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11,17-18H2,1-2H3
InChIKeySWKBFJSRPMMYHP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.45
Rot. Bonds3

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

2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 122080668) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID122080668
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(N)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-12(17)13-7-6-10-19(11-13)15(20)16(2,18)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11,17-18H2,1-2H3
InChIKeySWKBFJSRPMMYHP-UHFFFAOYSA-N
XLogP1.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2,2-difluoro-2-phenylethanone
CID 119594480
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethyl-2-phenylbutan-1-one
CID 119594274
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 119593580
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120593588
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one (CID 122080668) is 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one is CC(N)C1CCCN(C(=O)C(C)(N)c2ccccc2)C1.
What is the InChIKey of 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is SWKBFJSRPMMYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(17)13-7-6-10-19(11-13)15(20)16(2,18)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11,17-18H2,1-2H3.
What are the key properties of 2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one?
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.45, 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-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 122080668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).