(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol

C18H28FNO2 — CID 67193967

IUPAC(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc(C)c1F)C1CCCNC1
InChIInChI=1S/C18H28FNO2/c1-14-7-5-9-16(17(14)19)18(21,10-3-4-12-22-2)15-8-6-11-20-13-15/h5,7,9,15,20-21H,3-4,6,8,10-13H2,1-2H3/t15?,18-/m0/s1
InChIKeyJXVDUIVHSUJBQV-PKHIMPSTSA-N
MW309.42 g/mol
LogP3.14
Rot. Bonds7

About (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol

(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol (PubChem CID 67193967) has the molecular formula C18H28FNO2 and a molecular weight of 309.42 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
PubChem CID67193967
Molecular FormulaC18H28FNO2
Molecular Weight309.42 g/mol
Exact Mass309.21
IUPAC Name(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc(C)c1F)C1CCCNC1
InChIInChI=1S/C18H28FNO2/c1-14-7-5-9-16(17(14)19)18(21,10-3-4-12-22-2)15-8-6-11-20-13-15/h5,7,9,15,20-21H,3-4,6,8,10-13H2,1-2H3/t15?,18-/m0/s1
InChIKeyJXVDUIVHSUJBQV-PKHIMPSTSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67190101
(1S)-1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191148
(1S)-1-[2-(2-chlorophenyl)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 141142747
1-(3-chloro-2-fluorophenyl)-5-ethoxy-1-piperidin-3-ylpentan-1-ol
CID 67191270
(1S)-1-[2-(4-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67191338
1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 68849093
1-[2-(2-cyclopropylethoxy)phenyl]-5-methoxy-1-piperidin-3-ylpentan-1-ol
CID 67194013
(1R)-1-[2-(2,2-dimethylpropoxy)phenyl]-5-methoxy-1-[(3S)-piperidin-3-yl]pentan-1-ol
CID 68992484
(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-[2-[3-(trifluoromethyl)phenyl]phenyl]pentan-1-ol
CID 71163984
(1S)-1-[2-(5-fluoro-2-methylphenoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol;(1S)-1-[3-fluoro-2-(4-methylphenoxy)phenyl]-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 162119825
(1S)-1-(3-ethylphenyl)-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 67188318
(1S)-5-methoxy-1-[3-methyl-2-(2-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol;(1S)-5-methoxy-1-[5-methyl-2-(4-methylphenoxy)phenyl]-1-[(3R)-piperidin-3-yl]pentan-1-ol
CID 162263119

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The IUPAC name of (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol (CID 67193967) is (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol.
What is the SMILES notation for (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The canonical SMILES for (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol is COCCCC[C@@](O)(c1cccc(C)c1F)C1CCCNC1.
What is the InChIKey of (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol?
The InChIKey is JXVDUIVHSUJBQV-PKHIMPSTSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-14-7-5-9-16(17(14)19)18(21,10-3-4-12-22-2)15-8-6-11-20-13-15/h5,7,9,15,20-21H,3-4,6,8,10-13H2,1-2H3/t15?,18-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol?
(1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol has a molecular weight of 309.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-3-methylphenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol is sourced from PubChem (CID 67193967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).