1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine

C17H23F3N2 — CID 147908509

IUPAC1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(C2CCNCC2)c(N2CCCCC2)c1
InChIInChI=1S/C17H23F3N2/c18-17(19,20)14-4-5-15(13-6-8-21-9-7-13)16(12-14)22-10-2-1-3-11-22/h4-5,12-13,21H,1-3,6-11H2
InChIKeyIFQUWMGKMRQGCD-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.16
Rot. Bonds2

About 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine

1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine (PubChem CID 147908509) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine
PubChem CID147908509
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)c1ccc(C2CCNCC2)c(N2CCCCC2)c1
InChIInChI=1S/C17H23F3N2/c18-17(19,20)14-4-5-15(13-6-8-21-9-7-13)16(12-14)22-10-2-1-3-11-22/h4-5,12-13,21H,1-3,6-11H2
InChIKeyIFQUWMGKMRQGCD-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine (CID 147908509) is 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine is FC(F)(F)c1ccc(C2CCNCC2)c(N2CCCCC2)c1.
What is the InChIKey of 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine?
The InChIKey is IFQUWMGKMRQGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2/c18-17(19,20)14-4-5-15(13-6-8-21-9-7-13)16(12-14)22-10-2-1-3-11-22/h4-5,12-13,21H,1-3,6-11H2.
What are the key properties of 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine?
1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine has a molecular weight of 312.38 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 147908509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).