1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine

C15H20F3N3O — CID 10044992

IUPAC1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OC1CCCC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-5-6-13(21-9-7-19-8-10-21)20-14(12)22-11-3-1-2-4-11/h5-6,11,19H,1-4,7-10H2
InChIKeyLADXOCROYYAJEV-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.83
Rot. Bonds3

About 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 10044992) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID10044992
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCNCC2)nc1OC1CCCC1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-5-6-13(21-9-7-19-8-10-21)20-14(12)22-11-3-1-2-4-11/h5-6,11,19H,1-4,7-10H2
InChIKeyLADXOCROYYAJEV-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 10044992) is 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCNCC2)nc1OC1CCCC1.
What is the InChIKey of 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is LADXOCROYYAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)12-5-6-13(21-9-7-19-8-10-21)20-14(12)22-11-3-1-2-4-11/h5-6,11,19H,1-4,7-10H2.
What are the key properties of 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 315.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-cyclopentyloxy-5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 10044992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).