1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol

C12H22FNO — CID 144714353

IUPAC1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESC=CCC1(F)CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H22FNO/c1-4-5-12(13)6-8-14(9-7-12)10-11(2,3)15/h4,15H,1,5-10H2,2-3H3
InChIKeyNBMXBAAPIBHAOA-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.14
Rot. Bonds4

About 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol

1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol (PubChem CID 144714353) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol
PubChem CID144714353
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol
SMILESC=CCC1(F)CCN(CC(C)(C)O)CC1
InChIInChI=1S/C12H22FNO/c1-4-5-12(13)6-8-14(9-7-12)10-11(2,3)15/h4,15H,1,5-10H2,2-3H3
InChIKeyNBMXBAAPIBHAOA-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
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 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol (CID 144714353) is 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol is C=CCC1(F)CCN(CC(C)(C)O)CC1.
What is the InChIKey of 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol?
The InChIKey is NBMXBAAPIBHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-4-5-12(13)6-8-14(9-7-12)10-11(2,3)15/h4,15H,1,5-10H2,2-3H3.
What are the key properties of 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol?
1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol has a molecular weight of 215.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 144714353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).