2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone

C20H24N2O — CID 83971754

IUPAC2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
SMILESNCC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c21-15-20(23)18-6-8-19(9-7-18)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15,21H2
InChIKeyMETVCZCQMKMMOV-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone

2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone (PubChem CID 83971754) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
PubChem CID83971754
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
SMILESNCC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O/c21-15-20(23)18-6-8-19(9-7-18)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15,21H2
InChIKeyMETVCZCQMKMMOV-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
4-[[1-(4-formylphenyl)piperidin-4-yl]methyl]benzoic acid
CID 174842373
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
N-[4-(4-benzylpiperidin-1-yl)phenyl]butanamide
CID 112985401
2-(1-benzylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 10406365
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
1-[4-(2-aminoacetyl)phenyl]piperidine-3-carboxylic acid
CID 83971736
4-(4-benzylpiperidin-1-yl)-3-fluorobenzamide
CID 91071189
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone (CID 83971754) is 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone is NCC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is METVCZCQMKMMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c21-15-20(23)18-6-8-19(9-7-18)22-12-10-17(11-13-22)14-16-4-2-1-3-5-16/h1-9,17H,10-15,21H2.
What are the key properties of 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone?
2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 308.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 83971754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).