2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine

C12H20F3N — CID 106778789

IUPAC2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCNC1CC1CCCC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)10-6-3-7-16-11(10)8-9-4-1-2-5-9/h9-11,16H,1-8H2
InChIKeyPBANSAZPGDVODS-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.50
Rot. Bonds2

About 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine

2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine (PubChem CID 106778789) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine
PubChem CID106778789
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCCNC1CC1CCCC1
InChIInChI=1S/C12H20F3N/c13-12(14,15)10-6-3-7-16-11(10)8-9-4-1-2-5-9/h9-11,16H,1-8H2
InChIKeyPBANSAZPGDVODS-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine?
The IUPAC name of 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine (CID 106778789) is 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine?
The canonical SMILES for 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine is FC(F)(F)C1CCCNC1CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine?
The InChIKey is PBANSAZPGDVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c13-12(14,15)10-6-3-7-16-11(10)8-9-4-1-2-5-9/h9-11,16H,1-8H2.
What are the key properties of 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine?
2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine has a molecular weight of 235.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).