5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine

C18H36N2 — CID 64861163

IUPAC5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
SMILESCCCCCCN1CC(C2CCCCC2)NCC1(C)C
InChIInChI=1S/C18H36N2/c1-4-5-6-10-13-20-14-17(19-15-18(20,2)3)16-11-8-7-9-12-16/h16-17,19H,4-15H2,1-3H3
InChIKeyNREFIIVNUPROPI-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds6

About 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine

5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine (PubChem CID 64861163) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
PubChem CID64861163
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
SMILESCCCCCCN1CC(C2CCCCC2)NCC1(C)C
InChIInChI=1S/C18H36N2/c1-4-5-6-10-13-20-14-17(19-15-18(20,2)3)16-11-8-7-9-12-16/h16-17,19H,4-15H2,1-3H3
InChIKeyNREFIIVNUPROPI-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine 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-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
1-butyl-5-cyclohexyl-2,2-diethylpiperazine
CID 64861362
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
5-cyclohexyl-2,2-dimethyl-1-(2-propan-2-yloxyethyl)piperazine
CID 64861713
5-cyclohexyl-2,2-dimethyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine
CID 116627571
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2,2-dimethyl-1-nonyl-5-propan-2-ylpiperazine
CID 64837896
5-cyclopropyl-1-(3-imidazol-1-ylpropyl)-2,2-dimethylpiperazine
CID 64862252
5-cyclohexyl-2,2-dimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64861167
5-cyclopropyl-1,2,2-trimethylpiperazine
CID 64860529

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine?
The IUPAC name of 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine (CID 64861163) is 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine.
What is the SMILES notation for 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine?
The canonical SMILES for 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine is CCCCCCN1CC(C2CCCCC2)NCC1(C)C.
What is the InChIKey of 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine?
The InChIKey is NREFIIVNUPROPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-5-6-10-13-20-14-17(19-15-18(20,2)3)16-11-8-7-9-12-16/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine?
5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine is sourced from PubChem (CID 64861163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).