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

C15H23F2N3 — CID 63669450

IUPAC1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)C(CN)c2cccc(F)c2F)C1
InChIInChI=1S/C15H23F2N3/c1-19-8-4-5-11(10-19)20(2)14(9-18)12-6-3-7-13(16)15(12)17/h3,6-7,11,14H,4-5,8-10,18H2,1-2H3
InChIKeyRHWPYZHWALDXBV-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.99
Rot. Bonds4

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

1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine (PubChem CID 63669450) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
PubChem CID63669450
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
SMILESCN1CCCC(N(C)C(CN)c2cccc(F)c2F)C1
InChIInChI=1S/C15H23F2N3/c1-19-8-4-5-11(10-19)20(2)14(9-18)12-6-3-7-13(16)15(12)17/h3,6-7,11,14H,4-5,8-10,18H2,1-2H3
InChIKeyRHWPYZHWALDXBV-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 63667565
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545332
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62545323
N-methyl-N-(1-methylpiperidin-3-yl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 62546573
1-(4-bromothiophen-2-yl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62545505
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
N,N'-dimethyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 55084951
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-4-phenylpentane-1,2-diamine
CID 62546049
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 114487766
2-fluoro-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 79519842

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine (CID 63669450) is 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine is CN1CCCC(N(C)C(CN)c2cccc(F)c2F)C1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
The InChIKey is RHWPYZHWALDXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-19-8-4-5-11(10-19)20(2)14(9-18)12-6-3-7-13(16)15(12)17/h3,6-7,11,14H,4-5,8-10,18H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine?
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine has a molecular weight of 283.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 63669450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).