(5,5-difluoropiperidin-3-yl)methanol;hydrochloride

C6H12ClF2NO — CID 118798393

IUPAC(5,5-difluoropiperidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CNCC(F)(F)C1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)1-5(3-10)2-9-4-6;/h5,9-10H,1-4H2;1H
InChIKeyMTPNBLITGLEBTH-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.65
Rot. Bonds1

About (5,5-difluoropiperidin-3-yl)methanol;hydrochloride

(5,5-difluoropiperidin-3-yl)methanol;hydrochloride (PubChem CID 118798393) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (5,5-difluoropiperidin-3-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(5,5-difluoropiperidin-3-yl)methanol;hydrochloride
PubChem CID118798393
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(5,5-difluoropiperidin-3-yl)methanol;hydrochloride
SMILESCl.OCC1CNCC(F)(F)C1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)1-5(3-10)2-9-4-6;/h5,9-10H,1-4H2;1H
InChIKeyMTPNBLITGLEBTH-UHFFFAOYSA-N
XLogP0.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.62
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoropiperidin-3-yl)methanol;hydrochloride?
The IUPAC name of (5,5-difluoropiperidin-3-yl)methanol;hydrochloride (CID 118798393) is (5,5-difluoropiperidin-3-yl)methanol;hydrochloride.
What is the SMILES notation for (5,5-difluoropiperidin-3-yl)methanol;hydrochloride?
The canonical SMILES for (5,5-difluoropiperidin-3-yl)methanol;hydrochloride is Cl.OCC1CNCC(F)(F)C1.
What is the InChIKey of (5,5-difluoropiperidin-3-yl)methanol;hydrochloride?
The InChIKey is MTPNBLITGLEBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)1-5(3-10)2-9-4-6;/h5,9-10H,1-4H2;1H.
What are the key properties of (5,5-difluoropiperidin-3-yl)methanol;hydrochloride?
(5,5-difluoropiperidin-3-yl)methanol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoropiperidin-3-yl)methanol;hydrochloride is sourced from PubChem (CID 118798393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).