1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol

C10H18F3NO — CID 84735632

IUPAC1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol
SMILESOC(CCCC1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)3-1-2-8-4-6-14-7-5-8/h8-9,14-15H,1-7H2
InChIKeyQOSHXZJOGOULPQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds4

About 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol

1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol (PubChem CID 84735632) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol
PubChem CID84735632
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol
SMILESOC(CCCC1CCNCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(15)3-1-2-8-4-6-14-7-5-8/h8-9,14-15H,1-7H2
InChIKeyQOSHXZJOGOULPQ-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol (CID 84735632) is 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol is OC(CCCC1CCNCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol?
The InChIKey is QOSHXZJOGOULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(15)3-1-2-8-4-6-14-7-5-8/h8-9,14-15H,1-7H2.
What are the key properties of 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol?
1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-piperidin-4-ylpentan-2-ol is sourced from PubChem (CID 84735632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).