1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine

C16H34N2O — CID 103016198

IUPAC1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1CCC(C)(C)OC
InChIInChI=1S/C16H34N2O/c1-7-8-14-11-17-15(13(2)3)12-18(14)10-9-16(4,5)19-6/h13-15,17H,7-12H2,1-6H3
InChIKeyWKJROPTXZAZGLQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds7

About 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine

1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine (PubChem CID 103016198) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine
PubChem CID103016198
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1CCC(C)(C)OC
InChIInChI=1S/C16H34N2O/c1-7-8-14-11-17-15(13(2)3)12-18(14)10-9-16(4,5)19-6/h13-15,17H,7-12H2,1-6H3
InChIKeyWKJROPTXZAZGLQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
CID 64832139
1-(3-methoxy-3-methylbutyl)-2,5-dipropylpiperazine
CID 103016279
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 114210392
1-(1-methoxypropan-2-yl)-5-propan-2-yl-2-propylpiperazine
CID 113473149
1-[(4-ethylphenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64831754
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
1-[(2,3-difluorophenyl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832129
1-[(5-bromothiophen-2-yl)methyl]-5-propan-2-yl-2-propylpiperazine
CID 64832524
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine (CID 103016198) is 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine is CCCC1CNC(C(C)C)CN1CCC(C)(C)OC.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine?
The InChIKey is WKJROPTXZAZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-8-14-11-17-15(13(2)3)12-18(14)10-9-16(4,5)19-6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine?
1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine is sourced from PubChem (CID 103016198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).