1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol

C17H25F2NO — CID 114596868

IUPAC1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)C(C)N(CCC(O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H25F2NO/c1-11-6-12(2)13(3)20(10-11)5-4-17(21)14-7-15(18)9-16(19)8-14/h7-9,11-13,17,21H,4-6,10H2,1-3H3
InChIKeyHBJRAIDEHWJVSN-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.75
Rot. Bonds4

About 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol

1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol (PubChem CID 114596868) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
PubChem CID114596868
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
SMILESCC1CC(C)C(C)N(CCC(O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C17H25F2NO/c1-11-6-12(2)13(3)20(10-11)5-4-17(21)14-7-15(18)9-16(19)8-14/h7-9,11-13,17,21H,4-6,10H2,1-3H3
InChIKeyHBJRAIDEHWJVSN-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol (CID 114596868) is 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol is CC1CC(C)C(C)N(CCC(O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
The InChIKey is HBJRAIDEHWJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-11-6-12(2)13(3)20(10-11)5-4-17(21)14-7-15(18)9-16(19)8-14/h7-9,11-13,17,21H,4-6,10H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol?
1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol has a molecular weight of 297.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 114596868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).