4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine

C19H26N4 — CID 11001412

IUPAC4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
SMILESNc1ccc(CCCN2CCN(c3ccccc3)CC2)cc1N
InChIInChI=1S/C19H26N4/c20-18-9-8-16(15-19(18)21)5-4-10-22-11-13-23(14-12-22)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14,20-21H2
InChIKeyOTVQHUBAAWAUNZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.61
Rot. Bonds5

About 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine

4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine (PubChem CID 11001412) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
PubChem CID11001412
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine
SMILESNc1ccc(CCCN2CCN(c3ccccc3)CC2)cc1N
InChIInChI=1S/C19H26N4/c20-18-9-8-16(15-19(18)21)5-4-10-22-11-13-23(14-12-22)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14,20-21H2
InChIKeyOTVQHUBAAWAUNZ-UHFFFAOYSA-N
XLogP2.61
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 11089822
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
2-methylsulfonyl-5-[5-(4-phenylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 57291702
2-piperidin-1-yl-5-(3-piperidin-1-ylpropyl)aniline
CID 82070762
2-methoxy-5-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline
CID 82071195
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine
CID 44555266
4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine
CID 142881597
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine?
The IUPAC name of 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine (CID 11001412) is 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine.
What is the SMILES notation for 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine?
The canonical SMILES for 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine is Nc1ccc(CCCN2CCN(c3ccccc3)CC2)cc1N.
What is the InChIKey of 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine?
The InChIKey is OTVQHUBAAWAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c20-18-9-8-16(15-19(18)21)5-4-10-22-11-13-23(14-12-22)17-6-2-1-3-7-17/h1-3,6-9,15H,4-5,10-14,20-21H2.
What are the key properties of 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine?
4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine has a molecular weight of 310.45 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,2-diamine is sourced from PubChem (CID 11001412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).