1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol

C15H23FN2O — CID 81097018

IUPAC1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol
SMILESCNC(C)c1c(F)cccc1N1CCC(C)(O)CC1
InChIInChI=1S/C15H23FN2O/c1-11(17-3)14-12(16)5-4-6-13(14)18-9-7-15(2,19)8-10-18/h4-6,11,17,19H,7-10H2,1-3H3
InChIKeySZXNRLFTWMDJOR-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.46
Rot. Bonds3

About 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol

1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol (PubChem CID 81097018) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol
PubChem CID81097018
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol
SMILESCNC(C)c1c(F)cccc1N1CCC(C)(O)CC1
InChIInChI=1S/C15H23FN2O/c1-11(17-3)14-12(16)5-4-6-13(14)18-9-7-15(2,19)8-10-18/h4-6,11,17,19H,7-10H2,1-3H3
InChIKeySZXNRLFTWMDJOR-UHFFFAOYSA-N
XLogP2.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol (CID 81097018) is 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol is CNC(C)c1c(F)cccc1N1CCC(C)(O)CC1.
What is the InChIKey of 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol?
The InChIKey is SZXNRLFTWMDJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17-3)14-12(16)5-4-6-13(14)18-9-7-15(2,19)8-10-18/h4-6,11,17,19H,7-10H2,1-3H3.
What are the key properties of 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol?
1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol has a molecular weight of 266.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).