1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine

C15H32N2 — CID 64838227

IUPAC1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(CCC(C)(C)C)C(C)(C)CN1
InChIInChI=1S/C15H32N2/c1-7-8-13-11-17(10-9-14(2,3)4)15(5,6)12-16-13/h13,16H,7-12H2,1-6H3
InChIKeyVVKTZAQATQRFHA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine

1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine (PubChem CID 64838227) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine
PubChem CID64838227
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine
SMILESCCCC1CN(CCC(C)(C)C)C(C)(C)CN1
InChIInChI=1S/C15H32N2/c1-7-8-13-11-17(10-9-14(2,3)4)15(5,6)12-16-13/h13,16H,7-12H2,1-6H3
InChIKeyVVKTZAQATQRFHA-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
2,2-dimethyl-1-[2-(3-methylbutoxy)ethyl]-5-propylpiperazine
CID 64839580
5-ethyl-2,2-dimethyl-1-pentylpiperazine
CID 64843523
1-[(4-bromophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64840164
1-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-dimethyl-5-propylpiperazine
CID 79550176
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159
2,2,5-trimethyl-1-pentylpiperazine
CID 64845904
1-butyl-2-cyclopropyl-2-methyl-5-propylpiperazine
CID 64839603
1-[(3,4-dichlorophenyl)methyl]-2,2-dimethyl-5-propylpiperazine
CID 64839775
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 80698291

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine (CID 64838227) is 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine is CCCC1CN(CCC(C)(C)C)C(C)(C)CN1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine?
The InChIKey is VVKTZAQATQRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-8-13-11-17(10-9-14(2,3)4)15(5,6)12-16-13/h13,16H,7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine?
1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2,2-dimethyl-5-propylpiperazine is sourced from PubChem (CID 64838227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).