1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone

C15H21NO — CID 115038500

IUPAC1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(C)C2CCNCC2)c1
InChIInChI=1S/C15H21NO/c1-11(13-6-8-16-9-7-13)14-4-3-5-15(10-14)12(2)17/h3-5,10-11,13,16H,6-9H2,1-2H3
InChIKeyRKOZYSKINLDBKK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds3

About 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone

1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone (PubChem CID 115038500) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone
PubChem CID115038500
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C(C)C2CCNCC2)c1
InChIInChI=1S/C15H21NO/c1-11(13-6-8-16-9-7-13)14-4-3-5-15(10-14)12(2)17/h3-5,10-11,13,16H,6-9H2,1-2H3
InChIKeyRKOZYSKINLDBKK-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[1-(1,1-dioxothiolan-3-yl)ethyl]phenyl]ethanone
CID 115049569
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
3-(1-pyrrolidin-3-ylethyl)benzaldehyde
CID 115023129
1-[4-(1-cyclopentylethyl)phenyl]ethanone
CID 115029782
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
1-[4-[fluoro(pyrrolidin-3-yl)methyl]phenyl]ethanone
CID 115032643
1-(3-acetylphenyl)ethyl acetate
CID 155934907
3-[(1S)-1-piperazin-2-ylethyl]benzoic acid
CID 46839487
(3S)-3-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine
CID 95366455
1-[3-[hydroxy(phenyl)methyl]phenyl]ethanone
CID 58616042
4-(1-piperidin-4-ylethyl)aniline
CID 115023731
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone (CID 115038500) is 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone is CC(=O)c1cccc(C(C)C2CCNCC2)c1.
What is the InChIKey of 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone?
The InChIKey is RKOZYSKINLDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(13-6-8-16-9-7-13)14-4-3-5-15(10-14)12(2)17/h3-5,10-11,13,16H,6-9H2,1-2H3.
What are the key properties of 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone?
1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-piperidin-4-ylethyl)phenyl]ethanone is sourced from PubChem (CID 115038500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).