3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol

C16H24FNO — CID 55156133

IUPAC3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCC1(C)CCN(CCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FNO/c1-16(2)7-10-18(11-8-16)9-6-15(19)13-4-3-5-14(17)12-13/h3-5,12,15,19H,6-11H2,1-2H3
InChIKeySWSAQWWXNRIISG-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.37
Rot. Bonds4

About 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol

3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 55156133) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID55156133
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCC1(C)CCN(CCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H24FNO/c1-16(2)7-10-18(11-8-16)9-6-15(19)13-4-3-5-14(17)12-13/h3-5,12,15,19H,6-11H2,1-2H3
InChIKeySWSAQWWXNRIISG-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-ol
CID 62932007
3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62630321
1-[3-amino-3-(3-fluorophenyl)propyl]-4-methylpiperidin-4-ol
CID 81114930
1-(3-fluorophenyl)-3-(1,4-thiazepan-4-yl)propan-1-ol
CID 62629154
1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
CID 81116306
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62630682
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol (CID 55156133) is 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol is CC1(C)CCN(CCC(O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is SWSAQWWXNRIISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2)7-10-18(11-8-16)9-6-15(19)13-4-3-5-14(17)12-13/h3-5,12,15,19H,6-11H2,1-2H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 265.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 55156133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).