2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol

C14H21FN2O — CID 117005019

IUPAC2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
SMILESCN(CCO)C1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2O/c1-16(8-9-18)14-6-3-7-17(11-14)13-5-2-4-12(15)10-13/h2,4-5,10,14,18H,3,6-9,11H2,1H3
InChIKeyVIJDMBOMWQGJTC-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.72
Rot. Bonds4

About 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol

2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol (PubChem CID 117005019) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
PubChem CID117005019
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol
SMILESCN(CCO)C1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2O/c1-16(8-9-18)14-6-3-7-17(11-14)13-5-2-4-12(15)10-13/h2,4-5,10,14,18H,3,6-9,11H2,1H3
InChIKeyVIJDMBOMWQGJTC-UHFFFAOYSA-N
XLogP1.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]ethanol
CID 117005013
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
4-[3-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]benzonitrile
CID 117005027
2-[[1-(2-fluorophenyl)pyrrolidin-3-yl]-methylamino]ethanol
CID 117004505
3-[1-(3-fluorophenyl)piperidin-3-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424362
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 171540166
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
CID 122029147

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol?
The IUPAC name of 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol (CID 117005019) is 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol is CN(CCO)C1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol?
The InChIKey is VIJDMBOMWQGJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-16(8-9-18)14-6-3-7-17(11-14)13-5-2-4-12(15)10-13/h2,4-5,10,14,18H,3,6-9,11H2,1H3.
What are the key properties of 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol?
2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol has a molecular weight of 252.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)piperidin-3-yl]-methylamino]ethanol is sourced from PubChem (CID 117005019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).