(1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol

C10H19F2NO — CID 126778899

IUPAC(1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol
SMILESCCC(C)N1CCC(F)(F)C(CO)C1
InChIInChI=1S/C10H19F2NO/c1-3-8(2)13-5-4-10(11,12)9(6-13)7-14/h8-9,14H,3-7H2,1-2H3
InChIKeyOYAXZSJBHQQUTB-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds3

About (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol

(1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol (PubChem CID 126778899) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol
PubChem CID126778899
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol
SMILESCCC(C)N1CCC(F)(F)C(CO)C1
InChIInChI=1S/C10H19F2NO/c1-3-8(2)13-5-4-10(11,12)9(6-13)7-14/h8-9,14H,3-7H2,1-2H3
InChIKeyOYAXZSJBHQQUTB-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 (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol?
The IUPAC name of (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol (CID 126778899) is (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol.
What is the SMILES notation for (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol?
The canonical SMILES for (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol is CCC(C)N1CCC(F)(F)C(CO)C1.
What is the InChIKey of (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol?
The InChIKey is OYAXZSJBHQQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-8(2)13-5-4-10(11,12)9(6-13)7-14/h8-9,14H,3-7H2,1-2H3.
What are the key properties of (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol?
(1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol 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 (1-butan-2-yl-4,4-difluoropiperidin-3-yl)methanol is sourced from PubChem (CID 126778899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).