5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine

C17H34N2O — CID 103016594

IUPAC5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCOC(C)(C)CCN1CC(C)(C2CC2)NCC1C(C)C
InChIInChI=1S/C17H34N2O/c1-13(2)15-11-18-17(5,14-7-8-14)12-19(15)10-9-16(3,4)20-6/h13-15,18H,7-12H2,1-6H3
InChIKeyGFFLVDMDLTWICA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine

5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 103016594) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID103016594
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCOC(C)(C)CCN1CC(C)(C2CC2)NCC1C(C)C
InChIInChI=1S/C17H34N2O/c1-13(2)15-11-18-17(5,14-7-8-14)12-19(15)10-9-16(3,4)20-6/h13-15,18H,7-12H2,1-6H3
InChIKeyGFFLVDMDLTWICA-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]thiomorpholine
CID 106326954
2-butan-2-yl-5,5-diethyl-1-(3-methoxy-3-methylbutyl)piperazine
CID 103016623
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
2-butan-2-yl-5-cyclopropyl-5-methyl-1-propylpiperazine
CID 64876547
5-cyclopropyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170486
2-[2-(5-cyclopropyl-5-methyl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64940605
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
CID 107298458
5-cyclopropyl-5-methyl-1-(2-methylpentan-3-yl)-2-propan-2-ylpiperazine
CID 64946234
5-ethyl-1-(3-methoxy-3-methylbutyl)-2,5-dimethylpiperazine
CID 103016503
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64934370
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64877110
1-[(2-bromophenyl)methyl]-5-cyclopropyl-5-methyl-2-propan-2-ylpiperazine
CID 64877485

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine (CID 103016594) is 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine is COC(C)(C)CCN1CC(C)(C2CC2)NCC1C(C)C.
What is the InChIKey of 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is GFFLVDMDLTWICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)15-11-18-17(5,14-7-8-14)12-19(15)10-9-16(3,4)20-6/h13-15,18H,7-12H2,1-6H3.
What are the key properties of 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-methoxy-3-methylbutyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 103016594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).