4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

C19H27F3N2O — CID 44563699

IUPAC4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1cccc(OCCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)16-5-4-6-18(15-16)25-14-13-23-11-7-17(8-12-23)24-9-2-1-3-10-24/h4-6,15,17H,1-3,7-14H2
InChIKeyYSQWZPCQSYIAQU-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.03
Rot. Bonds5

About 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine

4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 44563699) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID44563699
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESFC(F)(F)c1cccc(OCCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C19H27F3N2O/c20-19(21,22)16-5-4-6-18(15-16)25-14-13-23-11-7-17(8-12-23)24-9-2-1-3-10-24/h4-6,15,17H,1-3,7-14H2
InChIKeyYSQWZPCQSYIAQU-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 44563699) is 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is FC(F)(F)c1cccc(OCCN2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is YSQWZPCQSYIAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c20-19(21,22)16-5-4-6-18(15-16)25-14-13-23-11-7-17(8-12-23)24-9-2-1-3-10-24/h4-6,15,17H,1-3,7-14H2.
What are the key properties of 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine?
4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 356.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 44563699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).