(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

C18H23ClF4N2O — CID 166001116

IUPAC(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cccc(C2CCNCC2)c1F)N1CCCCC1C(F)(F)F
InChIInChI=1S/C18H22F4N2O.ClH/c19-16-13(12-7-9-23-10-8-12)4-3-5-14(16)17(25)24-11-2-1-6-15(24)18(20,21)22;/h3-5,12,15,23H,1-2,6-11H2;1H
InChIKeyDDLACNJDDBDOMP-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.27
Rot. Bonds2

About (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 166001116) has the molecular formula C18H23ClF4N2O and a molecular weight of 394.84 g/mol. Its IUPAC name is (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID166001116
Molecular FormulaC18H23ClF4N2O
Molecular Weight394.84 g/mol
Exact Mass394.14
IUPAC Name(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cccc(C2CCNCC2)c1F)N1CCCCC1C(F)(F)F
InChIInChI=1S/C18H22F4N2O.ClH/c19-16-13(12-7-9-23-10-8-12)4-3-5-14(16)17(25)24-11-2-1-6-15(24)18(20,21)22;/h3-5,12,15,23H,1-2,6-11H2;1H
InChIKeyDDLACNJDDBDOMP-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-piperidin-4-ylphenyl)-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 166001112
(2-fluoro-3-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 166001125
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
CID 166001097
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylazepan-1-yl)methanone
CID 79883942
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 169488532
(2,3-difluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256799
3-cyclohexyl-2-fluorobenzamide
CID 142776335
(2-fluorophenyl)-(2-piperidin-4-ylpyrrolidin-1-yl)methanone
CID 60978270
(3-chloro-2-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81265009
(4-fluoro-3-piperidin-4-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 169488533
4-(2,3-difluorophenyl)azepane
CID 83262443

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 166001116) is (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1cccc(C2CCNCC2)c1F)N1CCCCC1C(F)(F)F.
What is the InChIKey of (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DDLACNJDDBDOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O.ClH/c19-16-13(12-7-9-23-10-8-12)4-3-5-14(16)17(25)24-11-2-1-6-15(24)18(20,21)22;/h3-5,12,15,23H,1-2,6-11H2;1H.
What are the key properties of (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
(2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 394.84 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-piperidin-4-ylphenyl)-[2-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 166001116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).