[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C19H21ClF2N2O — CID 119488820

IUPAC[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1.Cl
InChIInChI=1S/C19H20F2N2O.ClH/c1-22-16-3-2-10-23(12-16)19(24)17-9-6-14(11-18(17)21)13-4-7-15(20)8-5-13;/h4-9,11,16,22H,2-3,10,12H2,1H3;1H
InChIKeyKKEDVUIWEYQEQU-UHFFFAOYSA-N
MW366.84 g/mol
LogP3.88
Rot. Bonds3

About [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119488820) has the molecular formula C19H21ClF2N2O and a molecular weight of 366.84 g/mol. Its IUPAC name is [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119488820
Molecular FormulaC19H21ClF2N2O
Molecular Weight366.84 g/mol
Exact Mass366.13
IUPAC Name[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1.Cl
InChIInChI=1S/C19H20F2N2O.ClH/c1-22-16-3-2-10-23(12-16)19(24)17-9-6-14(11-18(17)21)13-4-7-15(20)8-5-13;/h4-9,11,16,22H,2-3,10,12H2,1H3;1H
InChIKeyKKEDVUIWEYQEQU-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535777
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(5-fluoro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492604
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[3-(1-aminoethyl)piperidin-1-yl]-[2-fluoro-4-(4-methylphenyl)phenyl]methanone;hydrochloride
CID 119593064
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
[4-(4-fluorophenyl)-5-methylthiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493991
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119373691
(2-bromo-4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413824
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119488820) is [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C1.Cl.
What is the InChIKey of [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is KKEDVUIWEYQEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O.ClH/c1-22-16-3-2-10-23(12-16)19(24)17-9-6-14(11-18(17)21)13-4-7-15(20)8-5-13;/h4-9,11,16,22H,2-3,10,12H2,1H3;1H.
What are the key properties of [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
[2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-fluorophenyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119488820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).