3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol

C12H24FNO — CID 174903886

IUPAC3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
SMILESCC(C)CN1CCC[C@@](F)(CCCO)C1
InChIInChI=1S/C12H24FNO/c1-11(2)9-14-7-3-5-12(13,10-14)6-4-8-15/h11,15H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyWHIISBNHKNFPTH-GFCCVEGCSA-N
MW217.33 g/mol
LogP2.22
Rot. Bonds5

About 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol

3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol (PubChem CID 174903886) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
PubChem CID174903886
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
SMILESCC(C)CN1CCC[C@@](F)(CCCO)C1
InChIInChI=1S/C12H24FNO/c1-11(2)9-14-7-3-5-12(13,10-14)6-4-8-15/h11,15H,3-10H2,1-2H3/t12-/m1/s1
InChIKeyWHIISBNHKNFPTH-GFCCVEGCSA-N
XLogP2.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol with MolForge

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Related Compounds

2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
1-(1-Propylpiperidin-3-yl)ethan-1-ol
CID 21317077
2-(1-Dodecyl-piperidin-4-yl)-propan-1-ol
CID 44271515
3-(1-Methylpiperidin-4-yl)propan-1-ol
CID 15540677
[1-(Cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
2-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 15434835
[1-Pentyl-4-(trifluoromethyl)piperidin-3-yl]methanol
CID 19014398
2-[1-(2,2,2-Trifluoroethyl)piperidin-3-yl]ethanol
CID 62357831
2-[1-(12,12,12-Trifluorododecyl)piperidin-4-yl]propan-1-ol
CID 67906542
[1-(2-Fluoroethyl)piperidin-3-yl]methanol
CID 78067827
(3R)-3-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]butan-1-ol
CID 89524560
3-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]propan-1-ol
CID 89524570

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol (CID 174903886) is 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol is CC(C)CN1CCC[C@@](F)(CCCO)C1.
What is the InChIKey of 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
The InChIKey is WHIISBNHKNFPTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(2)9-14-7-3-5-12(13,10-14)6-4-8-15/h11,15H,3-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol?
3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol has a molecular weight of 217.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-fluoro-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 174903886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).