2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol

C20H24F3N3O2 — CID 45244033

IUPAC2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)16-7-8-19(25-13-16)26-9-3-5-17(14-26)24-12-15-4-1-2-6-18(15)28-11-10-27/h1-2,4,6-8,13,17,24,27H,3,5,9-12,14H2
InChIKeyBHDMUWXRYOOSMB-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.23
Rot. Bonds7

About 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol

2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol (PubChem CID 45244033) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol
PubChem CID45244033
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)16-7-8-19(25-13-16)26-9-3-5-17(14-26)24-12-15-4-1-2-6-18(15)28-11-10-27/h1-2,4,6-8,13,17,24,27H,3,5,9-12,14H2
InChIKeyBHDMUWXRYOOSMB-UHFFFAOYSA-N
XLogP3.23
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol with MolForge

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Related Compounds

(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 28730958
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 87635860
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
CID 29025995
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 45196359
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol (CID 45244033) is 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol is OCCOc1ccccc1CNC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol?
The InChIKey is BHDMUWXRYOOSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)16-7-8-19(25-13-16)26-9-3-5-17(14-26)24-12-15-4-1-2-6-18(15)28-11-10-27/h1-2,4,6-8,13,17,24,27H,3,5,9-12,14H2.
What are the key properties of 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol?
2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol has a molecular weight of 395.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 45244033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).