1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol

C16H25FN2O — CID 114515612

IUPAC1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
SMILESCN1CCC(CCNCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-19-9-6-13(7-10-19)5-8-18-12-16(20)14-3-2-4-15(17)11-14/h2-4,11,13,16,18,20H,5-10,12H2,1H3
InChIKeyMPMDZVWJIPVBBR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.18
Rot. Bonds6

About 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol

1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol (PubChem CID 114515612) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
PubChem CID114515612
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
SMILESCN1CCC(CCNCC(O)c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-19-9-6-13(7-10-19)5-8-18-12-16(20)14-3-2-4-15(17)11-14/h2-4,11,13,16,18,20H,5-10,12H2,1H3
InChIKeyMPMDZVWJIPVBBR-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.18
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)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
2-[2-[di(propan-2-yl)amino]ethylamino]-1-(3-fluorophenyl)ethanol
CID 60898398
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
2-(2-cyclopentylethylamino)-1-phenylethanol
CID 60733935
2-[[1-(4-aminocyclohexyl)-2-methylpropan-2-yl]amino]-1-(3-fluorophenyl)ethanol
CID 175873903
3-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106132747
2-(2-cyclohexylethylamino)-1-phenylethanol
CID 60752779
4-ethyl-1-[[[2-(3-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65118485

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol (CID 114515612) is 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol is CN1CCC(CCNCC(O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol?
The InChIKey is MPMDZVWJIPVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-19-9-6-13(7-10-19)5-8-18-12-16(20)14-3-2-4-15(17)11-14/h2-4,11,13,16,18,20H,5-10,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol?
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol has a molecular weight of 280.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol is sourced from PubChem (CID 114515612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).