2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol

C20H24F2N2O — CID 110896900

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNC1CCN(Cc2ccccc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H24F2N2O/c21-17-7-4-8-18(22)20(17)19(25)13-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,19,23,25H,9-14H2
InChIKeyWVGIQAOQRQUOJJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.25
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol

2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol (PubChem CID 110896900) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol
PubChem CID110896900
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol
SMILESOC(CNC1CCN(Cc2ccccc2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H24F2N2O/c21-17-7-4-8-18(22)20(17)19(25)13-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,19,23,25H,9-14H2
InChIKeyWVGIQAOQRQUOJJ-UHFFFAOYSA-N
XLogP3.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-1-cyclopropylethanol
CID 63294565
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945
1-[(1-benzylpiperidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885328
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-[(1-benzylpiperidin-4-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 3633998
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396
1-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]amino]-3-phenoxypropan-2-ol
CID 141051697
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
[4-[[4-(2-fluoroanilino)piperidin-1-yl]methyl]phenyl]methanol
CID 110009486
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol (CID 110896900) is 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol is OC(CNC1CCN(Cc2ccccc2)CC1)c1c(F)cccc1F.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol?
The InChIKey is WVGIQAOQRQUOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O/c21-17-7-4-8-18(22)20(17)19(25)13-23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,19,23,25H,9-14H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol?
2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol has a molecular weight of 346.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 110896900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).