2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine

C14H24N4 — CID 83011355

IUPAC2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
SMILESCN1CCN(NC(CN)Cc2ccccc2)CC1
InChIInChI=1S/C14H24N4/c1-17-7-9-18(10-8-17)16-14(12-15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12,15H2,1H3
InChIKeyZVHYYJHTYILCGJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.31
Rot. Bonds5

About 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine

2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine (PubChem CID 83011355) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
PubChem CID83011355
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
SMILESCN1CCN(NC(CN)Cc2ccccc2)CC1
InChIInChI=1S/C14H24N4/c1-17-7-9-18(10-8-17)16-14(12-15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12,15H2,1H3
InChIKeyZVHYYJHTYILCGJ-UHFFFAOYSA-N
XLogP0.31
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[(2R)-1-phenylpropan-2-yl]piperazin-1-amine
CID 124600300
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
CID 83013680
2-[2-(4-methylpiperazin-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 82889725
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
1-(4-methylpiperazin-1-yl)-2-phenylethanol
CID 173220641
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207
N-(1-phenylpropan-2-yl)azepan-1-amine;hydrochloride
CID 11971660
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine (CID 83011355) is 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine is CN1CCN(NC(CN)Cc2ccccc2)CC1.
What is the InChIKey of 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine?
The InChIKey is ZVHYYJHTYILCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17-7-9-18(10-8-17)16-14(12-15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12,15H2,1H3.
What are the key properties of 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine?
2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 83011355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).