2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol

C11H21F2NO — CID 174917111

IUPAC2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol
SMILESCC(C)CN1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-8(2)7-14-5-3-9(4-6-14)10(15)11(12)13/h8-11,15H,3-7H2,1-2H3
InChIKeySFKQLXSEZCBDTA-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.98
Rot. Bonds4

About 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol

2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol (PubChem CID 174917111) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol
PubChem CID174917111
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol
SMILESCC(C)CN1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-8(2)7-14-5-3-9(4-6-14)10(15)11(12)13/h8-11,15H,3-7H2,1-2H3
InChIKeySFKQLXSEZCBDTA-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol?
The IUPAC name of 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol (CID 174917111) is 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol is CC(C)CN1CCC(C(O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol?
The InChIKey is SFKQLXSEZCBDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-8(2)7-14-5-3-9(4-6-14)10(15)11(12)13/h8-11,15H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol?
2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol has a molecular weight of 221.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[1-(2-methylpropyl)piperidin-4-yl]ethanol is sourced from PubChem (CID 174917111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).