1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine

C18H38N2 — CID 64860054

IUPAC1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
SMILESCCC1(CC)CN(CCC(C)(C)C)C(CC(C)C)CN1
InChIInChI=1S/C18H38N2/c1-8-18(9-2)14-20(11-10-17(5,6)7)16(13-19-18)12-15(3)4/h15-16,19H,8-14H2,1-7H3
InChIKeyWUIQPHOIXAKCKV-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds6

About 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine

1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine (PubChem CID 64860054) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
PubChem CID64860054
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
SMILESCCC1(CC)CN(CCC(C)(C)C)C(CC(C)C)CN1
InChIInChI=1S/C18H38N2/c1-8-18(9-2)14-20(11-10-17(5,6)7)16(13-19-18)12-15(3)4/h15-16,19H,8-14H2,1-7H3
InChIKeyWUIQPHOIXAKCKV-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-diethyl-2-(2-methylpropyl)-1-(2-propan-2-yloxyethyl)piperazine
CID 64860823
5,5-diethyl-2-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64860633
5,5-diethyl-1-(2-methylbutyl)-2-(2-methylpropyl)piperazine
CID 64862556
1-[(E)-but-2-enyl]-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 114013955
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550
5-ethyl-5-methyl-2-(2-methylpropyl)-1-(4,4,4-trifluorobutyl)piperazine
CID 115518989
5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64860440
2,5,5-triethyl-1-methylpiperazine
CID 64859654
1-butyl-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 64838733
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
2,5,5-triethyl-1-(2-methylpentan-2-yl)piperazine
CID 113472027
2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016623

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine (CID 64860054) is 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine is CCC1(CC)CN(CCC(C)(C)C)C(CC(C)C)CN1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine?
The InChIKey is WUIQPHOIXAKCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-8-18(9-2)14-20(11-10-17(5,6)7)16(13-19-18)12-15(3)4/h15-16,19H,8-14H2,1-7H3.
What are the key properties of 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine?
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64860054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).