(3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol

C9H15F2NO — CID 170402521

IUPAC(3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol
SMILESC=C(C)C1(CO)CCNCC1(F)F
InChIInChI=1S/C9H15F2NO/c1-7(2)8(6-13)3-4-12-5-9(8,10)11/h12-13H,1,3-6H2,2H3
InChIKeyXDEKMLNHGBDYBW-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.17
Rot. Bonds2

About (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol

(3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol (PubChem CID 170402521) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol
PubChem CID170402521
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol
SMILESC=C(C)C1(CO)CCNCC1(F)F
InChIInChI=1S/C9H15F2NO/c1-7(2)8(6-13)3-4-12-5-9(8,10)11/h12-13H,1,3-6H2,2H3
InChIKeyXDEKMLNHGBDYBW-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol?
The IUPAC name of (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol (CID 170402521) is (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol is C=C(C)C1(CO)CCNCC1(F)F.
What is the InChIKey of (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol?
The InChIKey is XDEKMLNHGBDYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(2)8(6-13)3-4-12-5-9(8,10)11/h12-13H,1,3-6H2,2H3.
What are the key properties of (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol?
(3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol has a molecular weight of 191.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-4-prop-1-en-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 170402521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).