1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol

C15H23FN2O — CID 114678954

IUPAC1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
SMILESCc1cc(N2CCC(O)C(C)C2)c(C(C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-9-6-14(12(11(3)17)7-13(9)16)18-5-4-15(19)10(2)8-18/h6-7,10-11,15,19H,4-5,8,17H2,1-3H3
InChIKeyXACFIOGZQMLPID-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.36
Rot. Bonds2

About 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol

1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol (PubChem CID 114678954) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
PubChem CID114678954
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
SMILESCc1cc(N2CCC(O)C(C)C2)c(C(C)N)cc1F
InChIInChI=1S/C15H23FN2O/c1-9-6-14(12(11(3)17)7-13(9)16)18-5-4-15(19)10(2)8-18/h6-7,10-11,15,19H,4-5,8,17H2,1-3H3
InChIKeyXACFIOGZQMLPID-UHFFFAOYSA-N
XLogP2.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
CID 107227741
(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
1-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]-4-methylpiperidin-3-ol
CID 102958910
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
CID 114677679
1-[1-[4-fluoro-2-[(1S)-1-hydroxyethyl]-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836529
1-[1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]piperidin-4-yl]ethanol
CID 106836488
(1R)-1-[5-fluoro-4-methyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanamine
CID 102744273
(1R)-1-[2-(2,3-dimethylthiomorpholin-4-yl)-5-fluoro-4-methylphenyl]ethanamine
CID 104874555
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
CID 114677776

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol (CID 114678954) is 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol is Cc1cc(N2CCC(O)C(C)C2)c(C(C)N)cc1F.
What is the InChIKey of 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol?
The InChIKey is XACFIOGZQMLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-9-6-14(12(11(3)17)7-13(9)16)18-5-4-15(19)10(2)8-18/h6-7,10-11,15,19H,4-5,8,17H2,1-3H3.
What are the key properties of 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol?
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol has a molecular weight of 266.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114678954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).