4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride

C11H14ClF2NO — CID 129319882

IUPAC4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C11H13F2NO.ClH/c12-9-2-1-8(7-10(9)13)11(15)3-5-14-6-4-11;/h1-2,7,14-15H,3-6H2;1H
InChIKeyZKUHTYGSAUBKRP-UHFFFAOYSA-N
MW249.69 g/mol
LogP1.96
Rot. Bonds1

About 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride

4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride (PubChem CID 129319882) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
PubChem CID129319882
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)c(F)c2)CCNCC1
InChIInChI=1S/C11H13F2NO.ClH/c12-9-2-1-8(7-10(9)13)11(15)3-5-14-6-4-11;/h1-2,7,14-15H,3-6H2;1H
InChIKeyZKUHTYGSAUBKRP-UHFFFAOYSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride (CID 129319882) is 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride is Cl.OC1(c2ccc(F)c(F)c2)CCNCC1.
What is the InChIKey of 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride?
The InChIKey is ZKUHTYGSAUBKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c12-9-2-1-8(7-10(9)13)11(15)3-5-14-6-4-11;/h1-2,7,14-15H,3-6H2;1H.
What are the key properties of 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride?
4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 129319882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).