4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline

C20H32N4 — CID 82201882

IUPAC4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline
SMILESC=CCN(CC=C)C(CN1CCNCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H32N4/c1-5-13-24(14-6-2)20(17-23-15-11-21-12-16-23)18-7-9-19(10-8-18)22(3)4/h5-10,20-21H,1-2,11-17H2,3-4H3
InChIKeyJQRYHGRNNZONPH-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.37
Rot. Bonds9

About 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline

4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline (PubChem CID 82201882) has the molecular formula C20H32N4 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline
PubChem CID82201882
Molecular FormulaC20H32N4
Molecular Weight328.50 g/mol
Exact Mass328.26
IUPAC Name4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline
SMILESC=CCN(CC=C)C(CN1CCNCC1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H32N4/c1-5-13-24(14-6-2)20(17-23-15-11-21-12-16-23)18-7-9-19(10-8-18)22(3)4/h5-10,20-21H,1-2,11-17H2,3-4H3
InChIKeyJQRYHGRNNZONPH-UHFFFAOYSA-N
XLogP2.37
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(1-piperazin-1-yl-2-pyrrolidin-1-ylethyl)aniline
CID 83977914
N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
CID 82201682
N,N-dimethyl-4-[1-(2-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 112539324
1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
CID 82201862
4-[(4-ethylphenyl)-piperazin-1-ylmethyl]-N,N-dimethylaniline
CID 3902289
N,N-diethyl-2-piperazin-1-yl-1-pyridin-3-ylethanamine
CID 82201783
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 82215482
4-[2-(azepan-1-yl)-1-chloroethyl]-N,N-dimethylaniline
CID 82215457
1-(4-bromophenyl)-N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116909752

Frequently Asked Questions

What is the IUPAC name of 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline (CID 82201882) is 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline is C=CCN(CC=C)C(CN1CCNCC1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline?
The InChIKey is JQRYHGRNNZONPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4/c1-5-13-24(14-6-2)20(17-23-15-11-21-12-16-23)18-7-9-19(10-8-18)22(3)4/h5-10,20-21H,1-2,11-17H2,3-4H3.
What are the key properties of 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline?
4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline has a molecular weight of 328.50 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[bis(prop-2-enyl)amino]-2-piperazin-1-ylethyl]-N,N-dimethylaniline is sourced from PubChem (CID 82201882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).