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

C18H38N2 — CID 64848550

IUPAC1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCC(C)(C)C)C(CC(C)C)CN1
InChIInChI=1S/C18H38N2/c1-14(2)10-16-13-20(9-8-18(5,6)7)17(12-19-16)11-15(3)4/h14-17,19H,8-13H2,1-7H3
InChIKeyCPAOEBWWSHKSMT-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.16
Rot. Bonds6

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

1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine (PubChem CID 64848550) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
PubChem CID64848550
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(CCC(C)(C)C)C(CC(C)C)CN1
InChIInChI=1S/C18H38N2/c1-14(2)10-16-13-20(9-8-18(5,6)7)17(12-19-16)11-15(3)4/h14-17,19H,8-13H2,1-7H3
InChIKeyCPAOEBWWSHKSMT-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64850100
2-cyclopropyl-1-(3,3-dimethylbutyl)-5-(2-methylpropyl)piperazine
CID 64849713
5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 64841750
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
2-[(2S,5S,8S,11S)-7,10-bis(carboxymethyl)-2,5,8,11-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 153325403
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
1-(3,3-dimethylbutyl)-5,5-diethyl-2-(2-methylpropyl)piperazine
CID 64860054
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine (CID 64848550) is 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine is CC(C)CC1CN(CCC(C)(C)C)C(CC(C)C)CN1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine?
The InChIKey is CPAOEBWWSHKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-14(2)10-16-13-20(9-8-18(5,6)7)17(12-19-16)11-15(3)4/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine?
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine has a molecular weight of 282.52 g/mol, XLogP of 4.16, 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)-2,5-bis(2-methylpropyl)piperazine is sourced from PubChem (CID 64848550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).