1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane

C13H28N4 — CID 82511442

IUPAC1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane
SMILESCC(CN1CCNCC1)N1CCCN(C)CC1
InChIInChI=1S/C13H28N4/c1-13(12-16-8-4-14-5-9-16)17-7-3-6-15(2)10-11-17/h13-14H,3-12H2,1-2H3
InChIKeyRAFYHTAAQBNYNX-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.08
Rot. Bonds3

About 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane

1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane (PubChem CID 82511442) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane
PubChem CID82511442
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane
SMILESCC(CN1CCNCC1)N1CCCN(C)CC1
InChIInChI=1S/C13H28N4/c1-13(12-16-8-4-14-5-9-16)17-7-3-6-15(2)10-11-17/h13-14H,3-12H2,1-2H3
InChIKeyRAFYHTAAQBNYNX-UHFFFAOYSA-N
XLogP-0.08
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane with MolForge

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

Launch Full Analysis

Related Compounds

1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
CID 69225763
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62418612
1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol
CID 167469531
4-[(2S)-1-piperazin-1-ylpropan-2-yl]piperazine-2,6-dione
CID 59840666
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-heptan-2-yl-4-methyl-1,4-diazepane
CID 146200465
methane;1-(2-methylpropyl)piperazine
CID 167537973
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129
1-methyl-4-[(2R)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]-1,4-diazepane
CID 134502084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane (CID 82511442) is 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane is CC(CN1CCNCC1)N1CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane?
The InChIKey is RAFYHTAAQBNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-13(12-16-8-4-14-5-9-16)17-7-3-6-15(2)10-11-17/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane?
1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-piperazin-1-ylpropan-2-yl)-1,4-diazepane is sourced from PubChem (CID 82511442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).