2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride

C20H24ClNO2 — CID 117067726

IUPAC2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccccc1)N1CCC(Oc2ccccc2)CC1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-16(20(22)17-8-4-2-5-9-17)21-14-12-19(13-15-21)23-18-10-6-3-7-11-18;/h2-11,16,19H,12-15H2,1H3;1H
InChIKeyATVTZPYXXRTMIO-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.22
Rot. Bonds5

About 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride

2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride (PubChem CID 117067726) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
PubChem CID117067726
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride
SMILESCC(C(=O)c1ccccc1)N1CCC(Oc2ccccc2)CC1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-16(20(22)17-8-4-2-5-9-17)21-14-12-19(13-15-21)23-18-10-6-3-7-11-18;/h2-11,16,19H,12-15H2,1H3;1H
InChIKeyATVTZPYXXRTMIO-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
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CID 62031296
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
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2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
2-(4,4-dimethylazepan-1-yl)-1-phenylpropan-1-one
CID 65282863
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]propanoic acid
CID 119134759

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride (CID 117067726) is 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride is CC(C(=O)c1ccccc1)N1CCC(Oc2ccccc2)CC1.Cl.
What is the InChIKey of 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride?
The InChIKey is ATVTZPYXXRTMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-16(20(22)17-8-4-2-5-9-17)21-14-12-19(13-15-21)23-18-10-6-3-7-11-18;/h2-11,16,19H,12-15H2,1H3;1H.
What are the key properties of 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride?
2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxypiperidin-1-yl)-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 117067726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).