5-tert-butyl-2-cyclopropyl-1-octylpiperazine

C19H38N2 — CID 64841844

IUPAC5-tert-butyl-2-cyclopropyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(C(C)(C)C)NCC1C1CC1
InChIInChI=1S/C19H38N2/c1-5-6-7-8-9-10-13-21-15-18(19(2,3)4)20-14-17(21)16-11-12-16/h16-18,20H,5-15H2,1-4H3
InChIKeyCVRYXSDEZHXFLJ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds8

About 5-tert-butyl-2-cyclopropyl-1-octylpiperazine

5-tert-butyl-2-cyclopropyl-1-octylpiperazine (PubChem CID 64841844) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclopropyl-1-octylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-2-cyclopropyl-1-octylpiperazine
PubChem CID64841844
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-tert-butyl-2-cyclopropyl-1-octylpiperazine
SMILESCCCCCCCCN1CC(C(C)(C)C)NCC1C1CC1
InChIInChI=1S/C19H38N2/c1-5-6-7-8-9-10-13-21-15-18(19(2,3)4)20-14-17(21)16-11-12-16/h16-18,20H,5-15H2,1-4H3
InChIKeyCVRYXSDEZHXFLJ-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-cyclopropyl-1-octylpiperazine 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

5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456
5-tert-butyl-1-heptyl-2-propylpiperazine
CID 64841631
5-tert-butyl-1-(cyclopentylmethyl)-2-cyclopropylpiperazine
CID 64841267
5-tert-butyl-2-cyclopropyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64841649
2-cyclohexyl-5-methyl-1-pentylpiperazine
CID 64844371
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672
2-cyclopropyl-5-ethyl-1-propylpiperazine
CID 64842143
5-tert-butyl-2-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64842807
5-tert-butyl-2-cyclopropyl-1-heptyl-2-methylpiperazine
CID 64841098
1-(2-butoxyethyl)-2-cyclopropyl-5-propylpiperazine
CID 64839370

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclopropyl-1-octylpiperazine?
The IUPAC name of 5-tert-butyl-2-cyclopropyl-1-octylpiperazine (CID 64841844) is 5-tert-butyl-2-cyclopropyl-1-octylpiperazine.
What is the SMILES notation for 5-tert-butyl-2-cyclopropyl-1-octylpiperazine?
The canonical SMILES for 5-tert-butyl-2-cyclopropyl-1-octylpiperazine is CCCCCCCCN1CC(C(C)(C)C)NCC1C1CC1.
What is the InChIKey of 5-tert-butyl-2-cyclopropyl-1-octylpiperazine?
The InChIKey is CVRYXSDEZHXFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-6-7-8-9-10-13-21-15-18(19(2,3)4)20-14-17(21)16-11-12-16/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 5-tert-butyl-2-cyclopropyl-1-octylpiperazine?
5-tert-butyl-2-cyclopropyl-1-octylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclopropyl-1-octylpiperazine is sourced from PubChem (CID 64841844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).