2-(4-methoxyphenyl)piperidin-3-one;hydrochloride

C12H16ClNO2 — CID 115044476

IUPAC2-(4-methoxyphenyl)piperidin-3-one;hydrochloride
SMILESCOc1ccc(C2NCCCC2=O)cc1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-10-6-4-9(5-7-10)12-11(14)3-2-8-13-12;/h4-7,12-13H,2-3,8H2,1H3;1H
InChIKeyFCRIPQGRWKWQJF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.11
Rot. Bonds2

About 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride

2-(4-methoxyphenyl)piperidin-3-one;hydrochloride (PubChem CID 115044476) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)piperidin-3-one;hydrochloride
PubChem CID115044476
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-(4-methoxyphenyl)piperidin-3-one;hydrochloride
SMILESCOc1ccc(C2NCCCC2=O)cc1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-15-10-6-4-9(5-7-10)12-11(14)3-2-8-13-12;/h4-7,12-13H,2-3,8H2,1H3;1H
InChIKeyFCRIPQGRWKWQJF-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
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1-(4-iodophenyl)-7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
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1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 42656257
(2S)-2-(4-methoxyphenyl)azetidine
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(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
2-(4-methoxyphenyl)-1,4-diazocane
CID 2771778
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-1-carbaldehyde
CID 175293128
2-[2-(4-methoxyphenyl)piperidin-3-yl]propan-2-ol;hydrochloride
CID 21436294
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
trans-(2R,3S)-2-(4-bromophenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 72713441

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride (CID 115044476) is 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride is COc1ccc(C2NCCCC2=O)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride?
The InChIKey is FCRIPQGRWKWQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-15-10-6-4-9(5-7-10)12-11(14)3-2-8-13-12;/h4-7,12-13H,2-3,8H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride?
2-(4-methoxyphenyl)piperidin-3-one;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)piperidin-3-one;hydrochloride is sourced from PubChem (CID 115044476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).