[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol

C19H21F2NO2 — CID 110008205

IUPAC[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C19H21F2NO2/c20-16-5-6-19(18(21)11-16)24-17-7-9-22(10-8-17)12-14-1-3-15(13-23)4-2-14/h1-6,11,17,23H,7-10,12-13H2
InChIKeyCFEJWKDEPMLNQJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.50
Rot. Bonds5

About [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol

[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 110008205) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol
PubChem CID110008205
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C19H21F2NO2/c20-16-5-6-19(18(21)11-16)24-17-7-9-22(10-8-17)12-14-1-3-15(13-23)4-2-14/h1-6,11,17,23H,7-10,12-13H2
InChIKeyCFEJWKDEPMLNQJ-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxybenzamide
CID 143718334
(4-cycloheptyloxy-3-fluorophenyl)methanol
CID 107690655
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146
[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl] carbamate
CID 175174460
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
cyclopropyl 4-[[4-(2,4-dichlorophenoxy)piperidin-1-yl]methyl]-2-fluorobenzoate
CID 152712132
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-2-pyridin-4-ylpyridine
CID 118675992
3-[[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]amino]propanoic acid
CID 122019186
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol (CID 110008205) is [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol is OCc1ccc(CN2CCC(Oc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is CFEJWKDEPMLNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c20-16-5-6-19(18(21)11-16)24-17-7-9-22(10-8-17)12-14-1-3-15(13-23)4-2-14/h1-6,11,17,23H,7-10,12-13H2.
What are the key properties of [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol?
[4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 333.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2,4-difluorophenoxy)piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 110008205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).