2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C18H24F2N4O — CID 131928849

IUPAC2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)C1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N4O/c1-22-9-6-21-18(22)13-24(10-11-25)14-4-7-23(8-5-14)15-2-3-16(19)17(20)12-15/h2-3,6,9,12,14,25H,4-5,7-8,10-11,13H2,1H3
InChIKeyYVMMVSYSSBYZOH-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.16
Rot. Bonds6

About 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 131928849) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID131928849
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)C1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H24F2N4O/c1-22-9-6-21-18(22)13-24(10-11-25)14-4-7-23(8-5-14)15-2-3-16(19)17(20)12-15/h2-3,6,9,12,14,25H,4-5,7-8,10-11,13H2,1H3
InChIKeyYVMMVSYSSBYZOH-UHFFFAOYSA-N
XLogP2.16
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531207
2-[cyclopentyl-[2-(1-methylimidazol-2-yl)ethyl]amino]ethanol
CID 114531217
2-[(4-methylcyclohexyl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 56857963
4-[[cyclopropyl-[2-(1-methylimidazol-2-yl)ethyl]amino]methyl]aniline
CID 114528265
2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 111105354
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 91841422
N-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropanamine
CID 77091426
2,4-dimethyl-N-[4-[4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]piperidin-1-yl]phenyl]benzamide
CID 42405693
N-(furan-3-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]cyclohexanamine
CID 122158285
1-(3,4-difluorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 107520978
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 131928849) is 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)C1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is YVMMVSYSSBYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-22-9-6-21-18(22)13-24(10-11-25)14-4-7-23(8-5-14)15-2-3-16(19)17(20)12-15/h2-3,6,9,12,14,25H,4-5,7-8,10-11,13H2,1H3.
What are the key properties of 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 350.41 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-difluorophenyl)piperidin-4-yl]-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 131928849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).