1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane

C17H37N3 — CID 170616932

IUPAC1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
SMILESCC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C9H19N.C8H18N2/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10/h9H,3-8H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyZGPSHOWIAXKDQZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.91
Rot. Bonds2

About 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane

1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane (PubChem CID 170616932) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
PubChem CID170616932
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
SMILESCC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C9H19N.C8H18N2/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10/h9H,3-8H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyZGPSHOWIAXKDQZ-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane 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

ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-methyl-4-propan-2-ylpiperazine;N-propan-2-ylcyclopropanamine;1-propan-2-ylpiperidine
CID 159993656
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 176978736
ethene;1-propan-2-ylpiperidine
CID 177325228
ethane;1-propan-2-ylpyrrolidine
CID 167557798

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane (CID 170616932) is 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane is CC(C)N1CCCCCC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane?
The InChIKey is ZGPSHOWIAXKDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H18N2/c1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10/h9H,3-8H2,1-2H3;8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane?
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane has a molecular weight of 283.50 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane is sourced from PubChem (CID 170616932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).