(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C18H22F4N2O — CID 171361971

IUPAC(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C2CCNCC2)ccc1F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F4N2O/c19-16-4-3-13(12-5-7-23-8-6-12)10-15(16)17(25)24-9-1-2-14(11-24)18(20,21)22/h3-4,10,12,14,23H,1-2,5-9,11H2
InChIKeyXVROCOMYJNZMCF-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.71
Rot. Bonds2

About (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 171361971) has the molecular formula C18H22F4N2O and a molecular weight of 358.38 g/mol. Its IUPAC name is (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID171361971
Molecular FormulaC18H22F4N2O
Molecular Weight358.38 g/mol
Exact Mass358.17
IUPAC Name(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(C2CCNCC2)ccc1F)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H22F4N2O/c19-16-4-3-13(12-5-7-23-8-6-12)10-15(16)17(25)24-9-1-2-14(11-24)18(20,21)22/h3-4,10,12,14,23H,1-2,5-9,11H2
InChIKeyXVROCOMYJNZMCF-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone;hydrochloride
CID 171361960
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 166001211
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(2-fluoro-5-piperidin-4-ylphenyl)-morpholin-4-ylmethanone
CID 171361963
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
[4-piperidin-4-yl-2-(trifluoromethoxy)phenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166001197
(2-chloro-5-methylsulfanylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51922925
(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 39975265
(4-fluorophenyl)-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 42945605

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 171361971) is (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cc(C2CCNCC2)ccc1F)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is XVROCOMYJNZMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O/c19-16-4-3-13(12-5-7-23-8-6-12)10-15(16)17(25)24-9-1-2-14(11-24)18(20,21)22/h3-4,10,12,14,23H,1-2,5-9,11H2.
What are the key properties of (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 358.38 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-piperidin-4-ylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 171361971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).