2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol

C19H30F2N2O — CID 110898680

IUPAC2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCCCCN(C)CC1CCN(CC(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H30F2N2O/c1-3-4-9-22(2)13-15-7-10-23(11-8-15)14-19(24)17-6-5-16(20)12-18(17)21/h5-6,12,15,19,24H,3-4,7-11,13-14H2,1-2H3
InChIKeyCXAWQUXRHGHXQC-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.44
Rot. Bonds8

About 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol (PubChem CID 110898680) has the molecular formula C19H30F2N2O and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
PubChem CID110898680
Molecular FormulaC19H30F2N2O
Molecular Weight340.46 g/mol
Exact Mass340.23
IUPAC Name2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol
SMILESCCCCN(C)CC1CCN(CC(O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H30F2N2O/c1-3-4-9-22(2)13-15-7-10-23(11-8-15)14-19(24)17-6-5-16(20)12-18(17)21/h5-6,12,15,19,24H,3-4,7-11,13-14H2,1-2H3
InChIKeyCXAWQUXRHGHXQC-UHFFFAOYSA-N
XLogP3.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(3,4-difluorophenyl)ethanol
CID 110898682
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 110898679
1-(2,4-difluorophenyl)-2-[4-(ethoxymethyl)piperidin-1-yl]ethanol
CID 111122492
1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 107520324
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 87014881
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methanone
CID 86949308
(2R)-1-[4-[[[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 100840896
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843
1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol (CID 110898680) is 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol is CCCCN(C)CC1CCN(CC(O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is CXAWQUXRHGHXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2N2O/c1-3-4-9-22(2)13-15-7-10-23(11-8-15)14-19(24)17-6-5-16(20)12-18(17)21/h5-6,12,15,19,24H,3-4,7-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol?
2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 340.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 110898680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).