N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

C19H33N3 — CID 118857776

IUPACN-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(N2CCN(CCN(C(C)C)C(C)C)CC2)cc1
InChIInChI=1S/C19H33N3/c1-16(2)22(17(3)4)15-12-20-10-13-21(14-11-20)19-8-6-18(5)7-9-19/h6-9,16-17H,10-15H2,1-5H3
InChIKeyUPGRJJQPRQEPES-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.24
Rot. Bonds6

About N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 118857776) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID118857776
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC NameN-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCc1ccc(N2CCN(CCN(C(C)C)C(C)C)CC2)cc1
InChIInChI=1S/C19H33N3/c1-16(2)22(17(3)4)15-12-20-10-13-21(14-11-20)19-8-6-18(5)7-9-19/h6-9,16-17H,10-15H2,1-5H3
InChIKeyUPGRJJQPRQEPES-UHFFFAOYSA-N
XLogP3.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 118857776) is N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is Cc1ccc(N2CCN(CCN(C(C)C)C(C)C)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is UPGRJJQPRQEPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-16(2)22(17(3)4)15-12-20-10-13-21(14-11-20)19-8-6-18(5)7-9-19/h6-9,16-17H,10-15H2,1-5H3.
What are the key properties of N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 303.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 118857776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).