1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone

C13H18N2O — CID 165483276

IUPAC1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CCNCC2N)cc1
InChIInChI=1S/C13H18N2O/c1-9(16)10-2-4-11(5-3-10)12-6-7-15-8-13(12)14/h2-5,12-13,15H,6-8,14H2,1H3
InChIKeyDGRIRFWPDBKPHF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.29
Rot. Bonds2

About 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone

1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone (PubChem CID 165483276) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
PubChem CID165483276
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(C2CCNCC2N)cc1
InChIInChI=1S/C13H18N2O/c1-9(16)10-2-4-11(5-3-10)12-6-7-15-8-13(12)14/h2-5,12-13,15H,6-8,14H2,1H3
InChIKeyDGRIRFWPDBKPHF-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-aminopiperidin-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 123219834
tert-butyl 4-[4-(3-aminopiperidin-4-yl)benzoyl]piperazine-1-carboxylate
CID 134321946
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
4-(3-ethylpiperidin-4-yl)benzamide
CID 175844110
4-(4-methylpiperidin-3-yl)benzoic acid
CID 165482617
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
1-[4-(2-fluorocyclobutyl)phenyl]ethanone
CID 115019007
4-(3-fluoropiperidin-4-yl)-N,N-dimethylbenzamide
CID 177300842
1-[4-[fluoro(pyrrolidin-3-yl)methyl]phenyl]ethanone
CID 115032643
1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone
CID 115019013

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone (CID 165483276) is 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone is CC(=O)c1ccc(C2CCNCC2N)cc1.
What is the InChIKey of 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone?
The InChIKey is DGRIRFWPDBKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(16)10-2-4-11(5-3-10)12-6-7-15-8-13(12)14/h2-5,12-13,15H,6-8,14H2,1H3.
What are the key properties of 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone?
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone is sourced from PubChem (CID 165483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).