1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine

C22H25F3N2 — CID 126576575

IUPAC1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCCC2)cc1-c1ccccc1N1CCCCC1
InChIInChI=1S/C22H25F3N2/c23-22(24,25)20-11-10-17(26-12-6-7-13-26)16-19(20)18-8-2-3-9-21(18)27-14-4-1-5-15-27/h2-3,8-11,16H,1,4-7,12-15H2
InChIKeyAJLOTLNSBONEEU-UHFFFAOYSA-N
MW374.45 g/mol
LogP5.96
Rot. Bonds3

About 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine

1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine (PubChem CID 126576575) has the molecular formula C22H25F3N2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine
PubChem CID126576575
Molecular FormulaC22H25F3N2
Molecular Weight374.45 g/mol
Exact Mass374.20
IUPAC Name1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine
SMILESFC(F)(F)c1ccc(N2CCCC2)cc1-c1ccccc1N1CCCCC1
InChIInChI=1S/C22H25F3N2/c23-22(24,25)20-11-10-17(26-12-6-7-13-26)16-19(20)18-8-2-3-9-21(18)27-14-4-1-5-15-27/h2-3,8-11,16H,1,4-7,12-15H2
InChIKeyAJLOTLNSBONEEU-UHFFFAOYSA-N
XLogP5.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepan-1-yl)-2-(trifluoromethyl)benzonitrile
CID 43320619
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080
1-(3-fluoro-4-phenylphenyl)piperidine
CID 126496888
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
4-piperidin-1-yl-2-(trifluoromethyl)benzohydrazide
CID 155928693
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
2,4-di(piperidin-1-yl)phenol
CID 130450866
2-pyrrolidin-1-yl-6-(trifluoromethyl)benzoic acid
CID 168512268
N-phenyl-2,4-di(piperidin-1-yl)aniline
CID 69351755

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine?
The IUPAC name of 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine (CID 126576575) is 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine.
What is the SMILES notation for 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine?
The canonical SMILES for 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine is FC(F)(F)c1ccc(N2CCCC2)cc1-c1ccccc1N1CCCCC1.
What is the InChIKey of 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine?
The InChIKey is AJLOTLNSBONEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2/c23-22(24,25)20-11-10-17(26-12-6-7-13-26)16-19(20)18-8-2-3-9-21(18)27-14-4-1-5-15-27/h2-3,8-11,16H,1,4-7,12-15H2.
What are the key properties of 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine?
1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine has a molecular weight of 374.45 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]phenyl]piperidine is sourced from PubChem (CID 126576575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).