1-butyl-5-cyclohexyl-2,2-diethylpiperazine

C18H36N2 — CID 64861362

IUPAC1-butyl-5-cyclohexyl-2,2-diethylpiperazine
SMILESCCCCN1CC(C2CCCCC2)NCC1(CC)CC
InChIInChI=1S/C18H36N2/c1-4-7-13-20-14-17(16-11-9-8-10-12-16)19-15-18(20,5-2)6-3/h16-17,19H,4-15H2,1-3H3
InChIKeyCPUXLBCNXCJSRN-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.20
Rot. Bonds6

About 1-butyl-5-cyclohexyl-2,2-diethylpiperazine

1-butyl-5-cyclohexyl-2,2-diethylpiperazine (PubChem CID 64861362) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-butyl-5-cyclohexyl-2,2-diethylpiperazine.

Molecular Properties

Compound Name1-butyl-5-cyclohexyl-2,2-diethylpiperazine
PubChem CID64861362
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-butyl-5-cyclohexyl-2,2-diethylpiperazine
SMILESCCCCN1CC(C2CCCCC2)NCC1(CC)CC
InChIInChI=1S/C18H36N2/c1-4-7-13-20-14-17(16-11-9-8-10-12-16)19-15-18(20,5-2)6-3/h16-17,19H,4-15H2,1-3H3
InChIKeyCPUXLBCNXCJSRN-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

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Related Compounds

1-butyl-5-cyclohexyl-2,2-dimethylpiperazine
CID 64861711
5-cyclohexyl-1-hexyl-2,2-dimethylpiperazine
CID 64861163
5-cyclopropyl-2,2-diethyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170489
5-cyclopropyl-2-ethyl-2-methyl-1-octylpiperazine
CID 64860145
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
1-[(E)-3-chloroprop-2-enyl]-5-cyclopropyl-2,2-diethylpiperazine
CID 114014146
5-cyclopropyl-2,2-diethyl-1-[(4-iodophenyl)methyl]piperazine
CID 65491369
8-cyclohexyl-6-(3-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64861723
5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
CID 64839848
2,2-diethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64839461
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-cyclohexyl-2,2-diethylpiperazine?
The IUPAC name of 1-butyl-5-cyclohexyl-2,2-diethylpiperazine (CID 64861362) is 1-butyl-5-cyclohexyl-2,2-diethylpiperazine.
What is the SMILES notation for 1-butyl-5-cyclohexyl-2,2-diethylpiperazine?
The canonical SMILES for 1-butyl-5-cyclohexyl-2,2-diethylpiperazine is CCCCN1CC(C2CCCCC2)NCC1(CC)CC.
What is the InChIKey of 1-butyl-5-cyclohexyl-2,2-diethylpiperazine?
The InChIKey is CPUXLBCNXCJSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-13-20-14-17(16-11-9-8-10-12-16)19-15-18(20,5-2)6-3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 1-butyl-5-cyclohexyl-2,2-diethylpiperazine?
1-butyl-5-cyclohexyl-2,2-diethylpiperazine 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 1-butyl-5-cyclohexyl-2,2-diethylpiperazine is sourced from PubChem (CID 64861362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).