1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride

C21H25ClFNO — CID 160688271

IUPAC1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
SMILESCN1CCC(Cc2cccc(CC(=O)c3ccc(F)cc3)c2)CC1.Cl
InChIInChI=1S/C21H24FNO.ClH/c1-23-11-9-16(10-12-23)13-17-3-2-4-18(14-17)15-21(24)19-5-7-20(22)8-6-19;/h2-8,14,16H,9-13,15H2,1H3;1H
InChIKeyYVTIWDQCEZTVIJ-UHFFFAOYSA-N
MW361.89 g/mol
LogP4.56
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride

1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride (PubChem CID 160688271) has the molecular formula C21H25ClFNO and a molecular weight of 361.89 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
PubChem CID160688271
Molecular FormulaC21H25ClFNO
Molecular Weight361.89 g/mol
Exact Mass361.16
IUPAC Name1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
SMILESCN1CCC(Cc2cccc(CC(=O)c3ccc(F)cc3)c2)CC1.Cl
InChIInChI=1S/C21H24FNO.ClH/c1-23-11-9-16(10-12-23)13-17-3-2-4-18(14-17)15-21(24)19-5-7-20(22)8-6-19;/h2-8,14,16H,9-13,15H2,1H3;1H
InChIKeyYVTIWDQCEZTVIJ-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride (CID 160688271) is 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride is CN1CCC(Cc2cccc(CC(=O)c3ccc(F)cc3)c2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride?
The InChIKey is YVTIWDQCEZTVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO.ClH/c1-23-11-9-16(10-12-23)13-17-3-2-4-18(14-17)15-21(24)19-5-7-20(22)8-6-19;/h2-8,14,16H,9-13,15H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride?
1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride has a molecular weight of 361.89 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 160688271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).