1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol

C12H15F3N2O — CID 66330056

IUPAC1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2cc(C(F)(F)F)ccn2)CCCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-3-6-16-10(7-9)17-8-11(18)4-1-2-5-11/h3,6-7,18H,1-2,4-5,8H2,(H,16,17)
InChIKeyIFTAOTLNHPMHHR-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.82
Rot. Bonds3

About 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol

1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol (PubChem CID 66330056) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
PubChem CID66330056
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2cc(C(F)(F)F)ccn2)CCCC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)9-3-6-16-10(7-9)17-8-11(18)4-1-2-5-11/h3,6-7,18H,1-2,4-5,8H2,(H,16,17)
InChIKeyIFTAOTLNHPMHHR-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol (CID 66330056) is 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol is OC1(CNc2cc(C(F)(F)F)ccn2)CCCC1.
What is the InChIKey of 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is IFTAOTLNHPMHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)9-3-6-16-10(7-9)17-8-11(18)4-1-2-5-11/h3,6-7,18H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol?
1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 260.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66330056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).