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

C9H15F2NO — CID 131038216

IUPAC(4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol
SMILESC=CCN1CCC(F)(F)C(CO)C1
InChIInChI=1S/C9H15F2NO/c1-2-4-12-5-3-9(10,11)8(6-12)7-13/h2,8,13H,1,3-7H2
InChIKeyITEKNYPFMWMECG-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.12
Rot. Bonds3

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

(4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol (PubChem CID 131038216) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol
PubChem CID131038216
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol
SMILESC=CCN1CCC(F)(F)C(CO)C1
InChIInChI=1S/C9H15F2NO/c1-2-4-12-5-3-9(10,11)8(6-12)7-13/h2,8,13H,1,3-7H2
InChIKeyITEKNYPFMWMECG-UHFFFAOYSA-N
XLogP1.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Prop-2-enylpiperidin-3-yl)methanol
CID 14781225
(1-(2,2-Difluoroethyl)piperidin-3-yl)methanol
CID 62020438
(1-(2,2,2-Trifluoroethyl)piperidin-3-yl)methanol
CID 62022536
(1-Ethyl-4,4-difluoropiperidin-3-yl)methanol
CID 128475020
(1-Ethenyl-5,5-difluoropiperidin-3-yl)methanol
CID 153592468
(1-Ethyl-5,5-difluoropiperidin-3-yl)methanol
CID 168207351
[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
CID 171479044
(4,4-Difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl)methanol
CID 175554830
[1-(3,3,3-Trifluoropropyl)piperidin-3-yl]methanol
CID 60688654
[(3R)-1-(2,2,2-Trifluoroethyl)piperidin-3-yl]methanol
CID 71416383
[1-(5,5,5-Trifluoropentyl)piperidin-3-yl]methanol
CID 112413143
(1-(4,4,4-Trifluorobutyl)piperidin-3-yl)methanol
CID 115518059

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol?
The IUPAC name of (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol (CID 131038216) is (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol is C=CCN1CCC(F)(F)C(CO)C1.
What is the InChIKey of (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol?
The InChIKey is ITEKNYPFMWMECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-4-12-5-3-9(10,11)8(6-12)7-13/h2,8,13H,1,3-7H2.
What are the key properties of (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol?
(4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol has a molecular weight of 191.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-prop-2-enylpiperidin-3-yl)methanol is sourced from PubChem (CID 131038216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).