1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone

C14H18ClNO — CID 15487524

IUPAC1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone
SMILESCN1CCCCC1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyDVTHHYNAMYAJBS-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.40
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone

1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone (PubChem CID 15487524) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone
PubChem CID15487524
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone
SMILESCN1CCCCC1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3
InChIKeyDVTHHYNAMYAJBS-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone Hydrochloride
CID 92965
Eperisone Hydrochloride
CID 123698
Hptp
CID 171187
3-Piperidinopropiophenone hydrochloride
CID 70171
1-Propanone, 1-(4-chlorophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200370
1-(3-Chlorophenyl)-2-(dimethylamino)propan-1-one
CID 43794735
4-Chloro-alpha-PVP
CID 69245309
Clephedrone
CID 82100418
3-Piperidinopropiophenone
CID 70172
2-(tert-Butylamino)-4'-chloropropiophenone
CID 3031066
1-(3-Chlorophenyl)-2-(piperidin-1-yl)propan-1-one
CID 43227131
1-(4-Chloro-phenyl)-4-[4-(1-ethyl-propyl)-piperazin-1-yl]-butane-1,4-dione
CID 11450972

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone (CID 15487524) is 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone is CN1CCCCC1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone?
The InChIKey is DVTHHYNAMYAJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-16-9-3-2-4-13(16)10-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone?
1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone has a molecular weight of 251.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(1-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 15487524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).