4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol

C10H19F2NO — CID 146582692

IUPAC4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol
SMILESCC(CC1(O)CCN(C)CC1)C(F)F
InChIInChI=1S/C10H19F2NO/c1-8(9(11)12)7-10(14)3-5-13(2)6-4-10/h8-9,14H,3-7H2,1-2H3
InChIKeyLJVJVRAAOXWIJQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds3

About 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol

4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol (PubChem CID 146582692) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol
PubChem CID146582692
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol
SMILESCC(CC1(O)CCN(C)CC1)C(F)F
InChIInChI=1S/C10H19F2NO/c1-8(9(11)12)7-10(14)3-5-13(2)6-4-10/h8-9,14H,3-7H2,1-2H3
InChIKeyLJVJVRAAOXWIJQ-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol (CID 146582692) is 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol is CC(CC1(O)CCN(C)CC1)C(F)F.
What is the InChIKey of 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol?
The InChIKey is LJVJVRAAOXWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-8(9(11)12)7-10(14)3-5-13(2)6-4-10/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol?
4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-2-methylpropyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 146582692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).