2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride

C7H14ClF2NO — CID 135393112

IUPAC2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride
SMILESCl.OCC(F)(F)C1CCNCC1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9,5-11)6-1-3-10-4-2-6;/h6,10-11H,1-5H2;1H
InChIKeyMHIOQHWEEBKKQR-UHFFFAOYSA-N
MW201.64 g/mol
LogP1.04
Rot. Bonds2

About 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride

2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride (PubChem CID 135393112) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride
PubChem CID135393112
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride
SMILESCl.OCC(F)(F)C1CCNCC1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9,5-11)6-1-3-10-4-2-6;/h6,10-11H,1-5H2;1H
InChIKeyMHIOQHWEEBKKQR-UHFFFAOYSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride?
The IUPAC name of 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride (CID 135393112) is 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride.
What is the SMILES notation for 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride?
The canonical SMILES for 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride is Cl.OCC(F)(F)C1CCNCC1.
What is the InChIKey of 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride?
The InChIKey is MHIOQHWEEBKKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c8-7(9,5-11)6-1-3-10-4-2-6;/h6,10-11H,1-5H2;1H.
What are the key properties of 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride?
2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-4-ylethanol;hydrochloride is sourced from PubChem (CID 135393112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).