(4,4-difluoropiperidin-2-yl)methanol;hydrochloride

C6H12ClF2NO — CID 172639050

IUPAC(4,4-difluoropiperidin-2-yl)methanol;hydrochloride
SMILESCl.OCC1CC(F)(F)CCN1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-5(3-6)4-10;/h5,9-10H,1-4H2;1H
InChIKeyIWBDQFWOTZKWFO-UHFFFAOYSA-N
MW187.62 g/mol
LogP0.79
Rot. Bonds1

About (4,4-difluoropiperidin-2-yl)methanol;hydrochloride

(4,4-difluoropiperidin-2-yl)methanol;hydrochloride (PubChem CID 172639050) has the molecular formula C6H12ClF2NO and a molecular weight of 187.62 g/mol. Its IUPAC name is (4,4-difluoropiperidin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoropiperidin-2-yl)methanol;hydrochloride
PubChem CID172639050
Molecular FormulaC6H12ClF2NO
Molecular Weight187.62 g/mol
Exact Mass187.06
IUPAC Name(4,4-difluoropiperidin-2-yl)methanol;hydrochloride
SMILESCl.OCC1CC(F)(F)CCN1
InChIInChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-5(3-6)4-10;/h5,9-10H,1-4H2;1H
InChIKeyIWBDQFWOTZKWFO-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-2-yl)methanol;hydrochloride?
The IUPAC name of (4,4-difluoropiperidin-2-yl)methanol;hydrochloride (CID 172639050) is (4,4-difluoropiperidin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (4,4-difluoropiperidin-2-yl)methanol;hydrochloride?
The canonical SMILES for (4,4-difluoropiperidin-2-yl)methanol;hydrochloride is Cl.OCC1CC(F)(F)CCN1.
What is the InChIKey of (4,4-difluoropiperidin-2-yl)methanol;hydrochloride?
The InChIKey is IWBDQFWOTZKWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.ClH/c7-6(8)1-2-9-5(3-6)4-10;/h5,9-10H,1-4H2;1H.
What are the key properties of (4,4-difluoropiperidin-2-yl)methanol;hydrochloride?
(4,4-difluoropiperidin-2-yl)methanol;hydrochloride has a molecular weight of 187.62 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 172639050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).