[4-(trifluoromethyl)piperidin-4-yl]methanol

C7H12F3NO — CID 53401460

IUPAC[4-(trifluoromethyl)piperidin-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCNCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(5-12)1-3-11-4-2-6/h11-12H,1-5H2
InChIKeyPPNUUANHKROZNO-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.91
Rot. Bonds1

About [4-(trifluoromethyl)piperidin-4-yl]methanol

[4-(trifluoromethyl)piperidin-4-yl]methanol (PubChem CID 53401460) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [4-(trifluoromethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)piperidin-4-yl]methanol
PubChem CID53401460
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[4-(trifluoromethyl)piperidin-4-yl]methanol
SMILESOCC1(C(F)(F)F)CCNCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(5-12)1-3-11-4-2-6/h11-12H,1-5H2
InChIKeyPPNUUANHKROZNO-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)piperidin-4-yl]methanol (CID 53401460) is [4-(trifluoromethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)piperidin-4-yl]methanol is OCC1(C(F)(F)F)CCNCC1.
What is the InChIKey of [4-(trifluoromethyl)piperidin-4-yl]methanol?
The InChIKey is PPNUUANHKROZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(5-12)1-3-11-4-2-6/h11-12H,1-5H2.
What are the key properties of [4-(trifluoromethyl)piperidin-4-yl]methanol?
[4-(trifluoromethyl)piperidin-4-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 53401460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).