2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol

C14H19F2NO2 — CID 70639511

IUPAC2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
SMILESOCCOC(c1cccc(F)c1F)C1CCCNC1
InChIInChI=1S/C14H19F2NO2/c15-12-5-1-4-11(13(12)16)14(19-8-7-18)10-3-2-6-17-9-10/h1,4-5,10,14,17-18H,2-3,6-9H2
InChIKeyRPLALJKEAHAQAH-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.01
Rot. Bonds5

About 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol

2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol (PubChem CID 70639511) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
PubChem CID70639511
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
SMILESOCCOC(c1cccc(F)c1F)C1CCCNC1
InChIInChI=1S/C14H19F2NO2/c15-12-5-1-4-11(13(12)16)14(19-8-7-18)10-3-2-6-17-9-10/h1,4-5,10,14,17-18H,2-3,6-9H2
InChIKeyRPLALJKEAHAQAH-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 68715059
2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68711452
tert-butyl (3R)-3-[(2,3-difluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 59201577
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
3-[(2,3-difluorophenyl)-fluoromethyl]azetidine
CID 122704793
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
CID 67191204
tert-butyl 3-[(R)-2-aminoethoxy-(2,3-difluorophenyl)methyl]piperidine-1-carboxylate
CID 68715328
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol?
The IUPAC name of 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol (CID 70639511) is 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol.
What is the SMILES notation for 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol?
The canonical SMILES for 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol is OCCOC(c1cccc(F)c1F)C1CCCNC1.
What is the InChIKey of 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol?
The InChIKey is RPLALJKEAHAQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c15-12-5-1-4-11(13(12)16)14(19-8-7-18)10-3-2-6-17-9-10/h1,4-5,10,14,17-18H,2-3,6-9H2.
What are the key properties of 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol?
2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol is sourced from PubChem (CID 70639511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).