2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol

C19H23F2N3O — CID 45224474

IUPAC2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccncc2)CCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H23F2N3O/c20-18-2-1-16(11-19(18)21)13-24-9-8-23(14-17(24)5-10-25)12-15-3-6-22-7-4-15/h1-4,6-7,11,17,25H,5,8-10,12-14H2
InChIKeyLZDLRGMVGONYHP-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol

2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45224474) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45224474
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccncc2)CCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C19H23F2N3O/c20-18-2-1-16(11-19(18)21)13-24-9-8-23(14-17(24)5-10-25)12-15-3-6-22-7-4-15/h1-4,6-7,11,17,25H,5,8-10,12-14H2
InChIKeyLZDLRGMVGONYHP-UHFFFAOYSA-N
XLogP2.43
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280
2-[(2R)-4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51636669
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51622355
2-[4-[(3,4-difluorophenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45188212
2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45208876
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-ethylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45217777
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 51907398
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 29021777
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]ethanol
CID 51903451
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
CID 51892492
2-[(2S)-1-[(3,4-difluorophenyl)methyl]-4-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperazin-2-yl]ethanol
CID 29209101
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51622379

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol (CID 45224474) is 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2ccncc2)CCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is LZDLRGMVGONYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c20-18-2-1-16(11-19(18)21)13-24-9-8-23(14-17(24)5-10-25)12-15-3-6-22-7-4-15/h1-4,6-7,11,17,25H,5,8-10,12-14H2.
What are the key properties of 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 347.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45224474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).