1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol

C18H26F2N2O2 — CID 111118057

IUPAC1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCCC(CN2CCOCC2)C1)c1ccc(F)cc1F
InChIInChI=1S/C18H26F2N2O2/c19-15-3-4-16(17(20)10-15)18(23)13-22-5-1-2-14(12-22)11-21-6-8-24-9-7-21/h3-4,10,14,18,23H,1-2,5-9,11-13H2
InChIKeyPFSFIILTYQFHRI-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.04
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol

1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol (PubChem CID 111118057) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
PubChem CID111118057
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol
SMILESOC(CN1CCCC(CN2CCOCC2)C1)c1ccc(F)cc1F
InChIInChI=1S/C18H26F2N2O2/c19-15-3-4-16(17(20)10-15)18(23)13-22-5-1-2-14(12-22)11-21-6-8-24-9-7-21/h3-4,10,14,18,23H,1-2,5-9,11-13H2
InChIKeyPFSFIILTYQFHRI-UHFFFAOYSA-N
XLogP2.04
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488276
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843
(2,4-difluorophenyl)-(oxan-4-yl)methanol
CID 62905509
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,4-difluorophenyl)ethanamine
CID 107520191

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol (CID 111118057) is 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol is OC(CN1CCCC(CN2CCOCC2)C1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol?
The InChIKey is PFSFIILTYQFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c19-15-3-4-16(17(20)10-15)18(23)13-22-5-1-2-14(12-22)11-21-6-8-24-9-7-21/h3-4,10,14,18,23H,1-2,5-9,11-13H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol?
1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol has a molecular weight of 340.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 111118057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).