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

C17H28FN3 — CID 62545323

IUPAC1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1F)N(C)C1CCCN(C)C1
InChIInChI=1S/C17H28FN3/c1-4-16(19)17(14-9-5-6-10-15(14)18)21(3)13-8-7-11-20(2)12-13/h5-6,9-10,13,16-17H,4,7-8,11-12,19H2,1-3H3
InChIKeyDGRCYEKGTQPPEG-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.63
Rot. Bonds5

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

1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine (PubChem CID 62545323) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
PubChem CID62545323
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
SMILESCCC(N)C(c1ccccc1F)N(C)C1CCCN(C)C1
InChIInChI=1S/C17H28FN3/c1-4-16(19)17(14-9-5-6-10-15(14)18)21(3)13-8-7-11-20(2)12-13/h5-6,9-10,13,16-17H,4,7-8,11-12,19H2,1-3H3
InChIKeyDGRCYEKGTQPPEG-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
CID 62546038
1-(3-chlorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546916
1-(2,3-difluorophenyl)-N-methyl-N-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 63669450
1-(2-fluorophenyl)-3-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-ol
CID 62631209
1-(2-bromophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 62547273
1-(4-bromothiophen-2-yl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine
CID 62546211
2-N-methyl-2-N-(1-methylpiperidin-3-yl)-1-phenylbutane-1,2-diamine
CID 62546230
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
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-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16786319

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine (CID 62545323) is 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine is CCC(N)C(c1ccccc1F)N(C)C1CCCN(C)C1.
What is the InChIKey of 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
The InChIKey is DGRCYEKGTQPPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-16(19)17(14-9-5-6-10-15(14)18)21(3)13-8-7-11-20(2)12-13/h5-6,9-10,13,16-17H,4,7-8,11-12,19H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine?
1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine has a molecular weight of 293.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-N-methyl-1-N-(1-methylpiperidin-3-yl)butane-1,2-diamine is sourced from PubChem (CID 62545323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).