1-(4-piperidin-3-ylphenyl)ethanone

C13H17NO — CID 83404173

IUPAC1-(4-piperidin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C13H17NO/c1-10(15)11-4-6-12(7-5-11)13-3-2-8-14-9-13/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyXKNYRPQFFIONPD-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-piperidin-3-ylphenyl)ethanone

1-(4-piperidin-3-ylphenyl)ethanone (PubChem CID 83404173) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(4-piperidin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-piperidin-3-ylphenyl)ethanone
PubChem CID83404173
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(4-piperidin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C13H17NO/c1-10(15)11-4-6-12(7-5-11)13-3-2-8-14-9-13/h4-7,13-14H,2-3,8-9H2,1H3
InChIKeyXKNYRPQFFIONPD-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
N-ethyl-4-piperidin-3-ylbenzamide
CID 172654355
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
N-cyclobutyl-4-[(3R)-piperidin-3-yl]benzamide
CID 97190592
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
N-(cyclopropylmethyl)-4-piperidin-3-ylbenzamide;hydrochloride
CID 172654364
3-(4-tert-butylphenyl)piperidine
CID 24904200
1-[4-[(3S)-piperidin-3-yl]phenyl]ethanol
CID 154574830
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-(4-methoxyphenyl)piperidine
CID 12937920
1-[4-(thian-3-yl)phenyl]ethanone
CID 105476773

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-3-ylphenyl)ethanone?
The IUPAC name of 1-(4-piperidin-3-ylphenyl)ethanone (CID 83404173) is 1-(4-piperidin-3-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-piperidin-3-ylphenyl)ethanone?
The canonical SMILES for 1-(4-piperidin-3-ylphenyl)ethanone is CC(=O)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of 1-(4-piperidin-3-ylphenyl)ethanone?
The InChIKey is XKNYRPQFFIONPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10(15)11-4-6-12(7-5-11)13-3-2-8-14-9-13/h4-7,13-14H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-piperidin-3-ylphenyl)ethanone?
1-(4-piperidin-3-ylphenyl)ethanone has a molecular weight of 203.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-3-ylphenyl)ethanone is sourced from PubChem (CID 83404173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).