1-butyl-2-tert-butyl-5-cyclohexylpiperazine

C18H36N2 — CID 64859625

IUPAC1-butyl-2-tert-butyl-5-cyclohexylpiperazine
SMILESCCCCN1CC(C2CCCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-5-6-12-20-14-16(15-10-8-7-9-11-15)19-13-17(20)18(2,3)4/h15-17,19H,5-14H2,1-4H3
InChIKeySXJXUYVBFFFLRM-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds4

About 1-butyl-2-tert-butyl-5-cyclohexylpiperazine

1-butyl-2-tert-butyl-5-cyclohexylpiperazine (PubChem CID 64859625) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-butyl-2-tert-butyl-5-cyclohexylpiperazine.

Molecular Properties

Compound Name1-butyl-2-tert-butyl-5-cyclohexylpiperazine
PubChem CID64859625
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-butyl-2-tert-butyl-5-cyclohexylpiperazine
SMILESCCCCN1CC(C2CCCCC2)NCC1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-5-6-12-20-14-16(15-10-8-7-9-11-15)19-13-17(20)18(2,3)4/h15-17,19H,5-14H2,1-4H3
InChIKeySXJXUYVBFFFLRM-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-2-tert-butyl-5-cyclopropylpiperazine
CID 64861474
1-butyl-2-cyclohexyl-5-cyclopropylpiperazine
CID 64861672
2-tert-butyl-5-cyclohexyl-1-(2-methylpropyl)piperazine
CID 64859818
2-tert-butyl-5-methyl-1-pentylpiperazine
CID 64844984
1-(2-butoxyethyl)-2-tert-butyl-5-ethylpiperazine
CID 64841177
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
5-cyclohexyl-1-(2-cyclopentylethyl)-2-ethylpiperazine
CID 64935138
1-butyl-2-tert-butylpiperidine
CID 58060832
5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
CID 106211701
2-cyclohexyl-5-cyclopropyl-1-(4-methoxybutyl)piperazine
CID 104650306

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-tert-butyl-5-cyclohexylpiperazine?
The IUPAC name of 1-butyl-2-tert-butyl-5-cyclohexylpiperazine (CID 64859625) is 1-butyl-2-tert-butyl-5-cyclohexylpiperazine.
What is the SMILES notation for 1-butyl-2-tert-butyl-5-cyclohexylpiperazine?
The canonical SMILES for 1-butyl-2-tert-butyl-5-cyclohexylpiperazine is CCCCN1CC(C2CCCCC2)NCC1C(C)(C)C.
What is the InChIKey of 1-butyl-2-tert-butyl-5-cyclohexylpiperazine?
The InChIKey is SXJXUYVBFFFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-5-6-12-20-14-16(15-10-8-7-9-11-15)19-13-17(20)18(2,3)4/h15-17,19H,5-14H2,1-4H3.
What are the key properties of 1-butyl-2-tert-butyl-5-cyclohexylpiperazine?
1-butyl-2-tert-butyl-5-cyclohexylpiperazine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-tert-butyl-5-cyclohexylpiperazine is sourced from PubChem (CID 64859625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).