[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol

C10H18F3NO — CID 115518059

IUPAC[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-2-6-14-5-1-3-9(7-14)8-15/h9,15H,1-8H2
InChIKeyMKGDXNWIHQNLFO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds4

About [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol

[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol (PubChem CID 115518059) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
PubChem CID115518059
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol
SMILESOCC1CCCN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)4-2-6-14-5-1-3-9(7-14)8-15/h9,15H,1-8H2
InChIKeyMKGDXNWIHQNLFO-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol (CID 115518059) is [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol is OCC1CCCN(CCCC(F)(F)F)C1.
What is the InChIKey of [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
The InChIKey is MKGDXNWIHQNLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)4-2-6-14-5-1-3-9(7-14)8-15/h9,15H,1-8H2.
What are the key properties of [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol?
[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutyl)piperidin-3-yl]methanol is sourced from PubChem (CID 115518059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).