3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol

C18H28FNO — CID 62630321

IUPAC3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCC(C)(C)C1CCN(CCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FNO/c1-18(2,3)15-7-10-20(11-8-15)12-9-17(21)14-5-4-6-16(19)13-14/h4-6,13,15,17,21H,7-12H2,1-3H3
InChIKeyIPOXXKSXKIQGKQ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.01
Rot. Bonds4

About 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol

3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 62630321) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
PubChem CID62630321
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
SMILESCC(C)(C)C1CCN(CCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H28FNO/c1-18(2,3)15-7-10-20(11-8-15)12-9-17(21)14-5-4-6-16(19)13-14/h4-6,13,15,17,21H,7-12H2,1-3H3
InChIKeyIPOXXKSXKIQGKQ-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol
CID 55156133
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
1-(3-fluorophenyl)-3-(1,4-thiazepan-4-yl)propan-1-ol
CID 62629154
2-(4-tert-butylazepan-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107521429
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-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-ol
CID 62645441
1-(4-fluoro-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073408
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol (CID 62630321) is 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol is CC(C)(C)C1CCN(CCC(O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is IPOXXKSXKIQGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-18(2,3)15-7-10-20(11-8-15)12-9-17(21)14-5-4-6-16(19)13-14/h4-6,13,15,17,21H,7-12H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol?
3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 62630321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).