1-[3-(benzylamino)piperidin-1-yl]ethanone

C14H20N2O — CID 83993665

IUPAC1-[3-(benzylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-12(17)16-9-5-8-14(11-16)15-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3
InChIKeySTIQGZKMNPPCSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.79
Rot. Bonds3

About 1-[3-(benzylamino)piperidin-1-yl]ethanone

1-[3-(benzylamino)piperidin-1-yl]ethanone (PubChem CID 83993665) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[3-(benzylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(benzylamino)piperidin-1-yl]ethanone
PubChem CID83993665
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[3-(benzylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(NCc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-12(17)16-9-5-8-14(11-16)15-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3
InChIKeySTIQGZKMNPPCSN-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(benzylamino)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 96999655
(3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylic acid
CID 68661601
[3-(benzylamino)piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 71913212
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
1-[(4R,5S)-4-(benzylamino)-5-methylazepan-1-yl]ethanone
CID 131729150
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
[3-(benzylamino)piperidin-1-yl]-(4H-furo[3,2-b]pyrrol-5-yl)methanone
CID 75436629
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
CID 97168581
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
CID 68753675
1-[3-(benzylamino)-5-(2,2,2-trifluoroethyl)piperidin-1-yl]ethanone
CID 83993688

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(benzylamino)piperidin-1-yl]ethanone (CID 83993665) is 1-[3-(benzylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(benzylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(benzylamino)piperidin-1-yl]ethanone is CC(=O)N1CCCC(NCc2ccccc2)C1.
What is the InChIKey of 1-[3-(benzylamino)piperidin-1-yl]ethanone?
The InChIKey is STIQGZKMNPPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(17)16-9-5-8-14(11-16)15-10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3.
What are the key properties of 1-[3-(benzylamino)piperidin-1-yl]ethanone?
1-[3-(benzylamino)piperidin-1-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83993665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).