[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride

C8H16ClF2NO — CID 146082410

IUPAC[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride
SMILESCl.OCC1(CC(F)F)CCNCC1
InChIInChI=1S/C8H15F2NO.ClH/c9-7(10)5-8(6-12)1-3-11-4-2-8;/h7,11-12H,1-6H2;1H
InChIKeyIXRDVBGMCHVOJS-UHFFFAOYSA-N
MW215.67 g/mol
LogP1.43
Rot. Bonds3

About [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride

[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride (PubChem CID 146082410) has the molecular formula C8H16ClF2NO and a molecular weight of 215.67 g/mol. Its IUPAC name is [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride
PubChem CID146082410
Molecular FormulaC8H16ClF2NO
Molecular Weight215.67 g/mol
Exact Mass215.09
IUPAC Name[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride
SMILESCl.OCC1(CC(F)F)CCNCC1
InChIInChI=1S/C8H15F2NO.ClH/c9-7(10)5-8(6-12)1-3-11-4-2-8;/h7,11-12H,1-6H2;1H
InChIKeyIXRDVBGMCHVOJS-UHFFFAOYSA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.67
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride?
The IUPAC name of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride (CID 146082410) is [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride?
The canonical SMILES for [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride is Cl.OCC1(CC(F)F)CCNCC1.
What is the InChIKey of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride?
The InChIKey is IXRDVBGMCHVOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.ClH/c9-7(10)5-8(6-12)1-3-11-4-2-8;/h7,11-12H,1-6H2;1H.
What are the key properties of [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride?
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride has a molecular weight of 215.67 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethyl)piperidin-4-yl]methanol;hydrochloride is sourced from PubChem (CID 146082410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).