[4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride

C7H13ClF3NO — CID 119031094

IUPAC[4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1CNCCC1C(F)(F)F
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-1-2-11-3-5(6)4-12;/h5-6,11-12H,1-4H2;1H
InChIKeyHSJGXQIIAFGPBC-UHFFFAOYSA-N
MW219.63 g/mol
LogP1.19
Rot. Bonds1

About [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride

[4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride (PubChem CID 119031094) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride
PubChem CID119031094
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name[4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1CNCCC1C(F)(F)F
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-1-2-11-3-5(6)4-12;/h5-6,11-12H,1-4H2;1H
InChIKeyHSJGXQIIAFGPBC-UHFFFAOYSA-N
XLogP1.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride (CID 119031094) is [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride is Cl.OCC1CNCCC1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride?
The InChIKey is HSJGXQIIAFGPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6-1-2-11-3-5(6)4-12;/h5-6,11-12H,1-4H2;1H.
What are the key properties of [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride?
[4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)piperidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 119031094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).