2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol

C16H25FN2O — CID 107227741

IUPAC2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(CCO)C2)c(C(C)N)cc1F
InChIInChI=1S/C16H25FN2O/c1-11-8-16(14(12(2)18)9-15(11)17)19-6-3-4-13(10-19)5-7-20/h8-9,12-13,20H,3-7,10,18H2,1-2H3
InChIKeyHXQMUGZJSROSAK-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.75
Rot. Bonds4

About 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol

2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol (PubChem CID 107227741) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
PubChem CID107227741
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol
SMILESCc1cc(N2CCCC(CCO)C2)c(C(C)N)cc1F
InChIInChI=1S/C16H25FN2O/c1-11-8-16(14(12(2)18)9-15(11)17)19-6-3-4-13(10-19)5-7-20/h8-9,12-13,20H,3-7,10,18H2,1-2H3
InChIKeyHXQMUGZJSROSAK-UHFFFAOYSA-N
XLogP2.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-(3-methoxypiperidin-1-yl)-4-methylphenyl]ethanamine
CID 102959105
1-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626029
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840
(1R)-1-[5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587289
2-[3-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzaldehyde
CID 114054274
2-[1-[4-(1-aminoethyl)-2-pyridinyl]piperidin-3-yl]ethanol
CID 107227792
(1S)-1-[3-chloro-4-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227965
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 43584596
(1R)-1-[4-(3-ethylpiperidin-1-yl)-3-fluorophenyl]ethanamine
CID 55188508

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol (CID 107227741) is 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol is Cc1cc(N2CCCC(CCO)C2)c(C(C)N)cc1F.
What is the InChIKey of 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol?
The InChIKey is HXQMUGZJSROSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11-8-16(14(12(2)18)9-15(11)17)19-6-3-4-13(10-19)5-7-20/h8-9,12-13,20H,3-7,10,18H2,1-2H3.
What are the key properties of 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol?
2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).