1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C17H36N4 — CID 64939876

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CC2CN(C)CCN2C)C(C(C)C)CN1
InChIInChI=1S/C17H36N4/c1-7-17(4)13-21(16(10-18-17)14(2)3)12-15-11-19(5)8-9-20(15)6/h14-16,18H,7-13H2,1-6H3
InChIKeyDYRLUVNXDCGISL-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.33
Rot. Bonds4

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64939876) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID64939876
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CC2CN(C)CCN2C)C(C(C)C)CN1
InChIInChI=1S/C17H36N4/c1-7-17(4)13-21(16(10-18-17)14(2)3)12-15-11-19(5)8-9-20(15)6/h14-16,18H,7-13H2,1-6H3
InChIKeyDYRLUVNXDCGISL-UHFFFAOYSA-N
XLogP1.33
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327069
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5-cyclopropyl-5-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934750
1-(3-chloro-2-methylprop-2-enyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 114188941
5-ethyl-5-methyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64945561
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
5-ethyl-5-methyl-1-[(1-methyltriazol-4-yl)methyl]-2-propan-2-ylpiperazine
CID 107055837

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 64939876) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(CC2CN(C)CCN2C)C(C(C)C)CN1.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is DYRLUVNXDCGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-7-17(4)13-21(16(10-18-17)14(2)3)12-15-11-19(5)8-9-20(15)6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 296.50 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64939876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).