1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol

C15H22FNO2 — CID 114681363

IUPAC1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCCOc2ccc(F)cc2)CCC1O
InChIInChI=1S/C15H22FNO2/c1-12-11-17(9-7-15(12)18)8-2-10-19-14-5-3-13(16)4-6-14/h3-6,12,15,18H,2,7-11H2,1H3
InChIKeyVSSBOPLTDLUZKI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol

1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol (PubChem CID 114681363) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
PubChem CID114681363
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCCOc2ccc(F)cc2)CCC1O
InChIInChI=1S/C15H22FNO2/c1-12-11-17(9-7-15(12)18)8-2-10-19-14-5-3-13(16)4-6-14/h3-6,12,15,18H,2,7-11H2,1H3
InChIKeyVSSBOPLTDLUZKI-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681284
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
3-ethyl-9-[3-(4-fluorophenoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane
CID 71923294
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
2-[3-(4-hydroxy-3-methylpiperidin-1-yl)propoxy]benzenecarbothioamide
CID 114678664
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol (CID 114681363) is 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol is CC1CN(CCCOc2ccc(F)cc2)CCC1O.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol?
The InChIKey is VSSBOPLTDLUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12-11-17(9-7-15(12)18)8-2-10-19-14-5-3-13(16)4-6-14/h3-6,12,15,18H,2,7-11H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol?
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol has a molecular weight of 267.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).