1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C15H24FN3 — CID 16786319

IUPAC1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CC(N)c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-18-9-7-12(8-10-18)19(2)11-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,7-11,17H2,1-2H3
InChIKeyBQEQAFDTMAUHMP-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 16786319) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID16786319
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)CC(N)c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-18-9-7-12(8-10-18)19(2)11-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,7-11,17H2,1-2H3
InChIKeyBQEQAFDTMAUHMP-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
1-(2-methoxyphenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545528
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 63667565
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 16786319) is 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(N(C)CC(N)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is BQEQAFDTMAUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18-9-7-12(8-10-18)19(2)11-15(17)13-5-3-4-6-14(13)16/h3-6,12,15H,7-11,17H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 16786319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).