3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine

C15H25FN4 — CID 114831664

IUPAC3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
SMILESCN1CCN(NC(C)(CN)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H25FN4/c1-15(12-17,11-13-4-3-5-14(16)10-13)18-20-8-6-19(2)7-9-20/h3-5,10,18H,6-9,11-12,17H2,1-2H3
InChIKeyZTYNNWVLCZMQBB-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.84
Rot. Bonds5

About 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine

3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine (PubChem CID 114831664) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
PubChem CID114831664
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
SMILESCN1CCN(NC(C)(CN)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H25FN4/c1-15(12-17,11-13-4-3-5-14(16)10-13)18-20-8-6-19(2)7-9-20/h3-5,10,18H,6-9,11-12,17H2,1-2H3
InChIKeyZTYNNWVLCZMQBB-UHFFFAOYSA-N
XLogP0.84
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine (CID 114831664) is 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine is CN1CCN(NC(C)(CN)Cc2cccc(F)c2)CC1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The InChIKey is ZTYNNWVLCZMQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-15(12-17,11-13-4-3-5-14(16)10-13)18-20-8-6-19(2)7-9-20/h3-5,10,18H,6-9,11-12,17H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine is sourced from PubChem (CID 114831664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).