4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol

C14H24F3NO — CID 79060200

IUPAC4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)9-6-12(19)13(7-2-3-8-13)18-10-4-1-5-11-18/h12,19H,1-11H2
InChIKeyIDCYQXMDGSTUNP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.49
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol

4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol (PubChem CID 79060200) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol
PubChem CID79060200
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)9-6-12(19)13(7-2-3-8-13)18-10-4-1-5-11-18/h12,19H,1-11H2
InChIKeyIDCYQXMDGSTUNP-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol (CID 79060200) is 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol is OC(CCC(F)(F)F)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol?
The InChIKey is IDCYQXMDGSTUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)9-6-12(19)13(7-2-3-8-13)18-10-4-1-5-11-18/h12,19H,1-11H2.
What are the key properties of 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol?
4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol is sourced from PubChem (CID 79060200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).