N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

C15H24FN3 — CID 62560518

IUPACN-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)CCNc2ccccc2F)C1
InChIInChI=1S/C15H24FN3/c1-18-10-5-6-13(12-18)19(2)11-9-17-15-8-4-3-7-14(15)16/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyDCIJHQGSNUXIKG-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.26
Rot. Bonds5

About N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine

N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 62560518) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID62560518
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)CCNc2ccccc2F)C1
InChIInChI=1S/C15H24FN3/c1-18-10-5-6-13(12-18)19(2)11-9-17-15-8-4-3-7-14(15)16/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyDCIJHQGSNUXIKG-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561241
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695
N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
CID 63167614
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N'-methyl-N-(4-methylcyclohexyl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561053
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 62560518) is N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is CN1CCCC(N(C)CCNc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is DCIJHQGSNUXIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18-10-5-6-13(12-18)19(2)11-9-17-15-8-4-3-7-14(15)16/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 265.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 62560518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).