5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine

C18H32N2 — CID 106211701

IUPAC5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
SMILESC#CCCCCN1CC(C2CCCCC2)NCC1CC
InChIInChI=1S/C18H32N2/c1-3-5-6-10-13-20-15-18(19-14-17(20)4-2)16-11-8-7-9-12-16/h1,16-19H,4-15H2,2H3
InChIKeyGGPSDZHLPLIMAD-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.42
Rot. Bonds6

About 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine

5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine (PubChem CID 106211701) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine.

Molecular Properties

Compound Name5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
PubChem CID106211701
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
SMILESC#CCCCCN1CC(C2CCCCC2)NCC1CC
InChIInChI=1S/C18H32N2/c1-3-5-6-10-13-20-15-18(19-14-17(20)4-2)16-11-8-7-9-12-16/h1,16-19H,4-15H2,2H3
InChIKeyGGPSDZHLPLIMAD-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine 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-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
CID 106211645
5-cyclohexyl-1-(2-cyclopentylethyl)-2-ethylpiperazine
CID 64935138
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094
1-(2-cyclopentyloxyethyl)-5-cyclopropyl-2-ethylpiperazine
CID 64940447
5-cyclopropyl-2-ethyl-1-(3-methylsulfinylpropyl)piperazine
CID 113488302
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
5-cyclohexyl-2-ethyl-1-(oxan-4-ylmethyl)piperazine
CID 64859995
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672
1-butyl-2-tert-butyl-5-cyclohexylpiperazine
CID 64859625
2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
CID 104650306
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64947329

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine?
The IUPAC name of 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine (CID 106211701) is 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine.
What is the SMILES notation for 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine?
The canonical SMILES for 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine is C#CCCCCN1CC(C2CCCCC2)NCC1CC.
What is the InChIKey of 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine?
The InChIKey is GGPSDZHLPLIMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-6-10-13-20-15-18(19-14-17(20)4-2)16-11-8-7-9-12-16/h1,16-19H,4-15H2,2H3.
What are the key properties of 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine?
5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine has a molecular weight of 276.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine is sourced from PubChem (CID 106211701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).