1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C15H23F2N3 — CID 63667565

IUPAC1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)c2cccc(F)c2F)CC1
InChIInChI=1S/C15H23F2N3/c1-19-8-6-11(7-9-19)20(2)14(10-18)12-4-3-5-13(16)15(12)17/h3-5,11,14H,6-10,18H2,1-2H3
InChIKeyZSMDVPZQGNPNGM-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.99
Rot. Bonds4

About 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine

1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 63667565) 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-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID63667565
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)c2cccc(F)c2F)CC1
InChIInChI=1S/C15H23F2N3/c1-19-8-6-11(7-9-19)20(2)14(10-18)12-4-3-5-13(16)15(12)17/h3-5,11,14H,6-10,18H2,1-2H3
InChIKeyZSMDVPZQGNPNGM-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-3-yl)ethane-1,2-diamine
CID 63669450
N-(cyclopropylmethyl)-1-(2,3-difluorophenyl)-N-methylethane-1,2-diamine
CID 63668937
N-methyl-N-(1-methylpiperidin-4-yl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63050917
N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43089504
1-(2-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319
2-[1-[methyl-(1-methylpiperidin-4-yl)amino]propyl]phenol
CID 82975221
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 83089494
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413
1-(2-fluorophenyl)-N-methyl-N-(oxolan-3-yl)ethane-1,2-diamine
CID 82733450
1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16783175
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 114487766
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 115989817

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 63667565) is 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(N(C)C(CN)c2cccc(F)c2F)CC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is ZSMDVPZQGNPNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-19-8-6-11(7-9-19)20(2)14(10-18)12-4-3-5-13(16)15(12)17/h3-5,11,14H,6-10,18H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-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-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 63667565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).