4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine

C14H29N3 — CID 114547073

IUPAC4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine
SMILESCCC1(CN2CC(C)N(C)C(C)C2)CCCN1
InChIInChI=1S/C14H29N3/c1-5-14(7-6-8-15-14)11-17-9-12(2)16(4)13(3)10-17/h12-13,15H,5-11H2,1-4H3
InChIKeyIMDFPCCFPSEPIQ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.54
Rot. Bonds3

About 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine

4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine (PubChem CID 114547073) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine
PubChem CID114547073
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine
SMILESCCC1(CN2CC(C)N(C)C(C)C2)CCCN1
InChIInChI=1S/C14H29N3/c1-5-14(7-6-8-15-14)11-17-9-12(2)16(4)13(3)10-17/h12-13,15H,5-11H2,1-4H3
InChIKeyIMDFPCCFPSEPIQ-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylmorpholine
CID 83073727
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-propan-2-ylpiperazine
CID 83074639
4-[(2-ethylpyrrolidin-2-yl)methyl]morpholine
CID 83073154
2-ethyl-2-(piperidin-1-ylmethyl)piperidine
CID 117271366
2-ethyl-4-[(2-ethylpyrrolidin-2-yl)methyl]-1,4-oxazepane
CID 114218499
1,2,6-trimethyl-4-[(3-methylpiperidin-3-yl)methyl]piperazine
CID 114547129
1-[(2-ethylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 83074157
1,2,6-trimethyl-4-[(4-propylpiperidin-4-yl)methyl]piperazine
CID 114547090
3,4-dimethyl-1-[(2-propylpyrrolidin-2-yl)methyl]piperidine
CID 106976543
2-ethyl-2-(2-methylpentyl)pyrrolidine
CID 66466921
1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole
CID 83074635
1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-3,4-dihydro-2H-quinoline
CID 83073868

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine?
The IUPAC name of 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine (CID 114547073) is 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine.
What is the SMILES notation for 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine?
The canonical SMILES for 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine is CCC1(CN2CC(C)N(C)C(C)C2)CCCN1.
What is the InChIKey of 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine?
The InChIKey is IMDFPCCFPSEPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-14(7-6-8-15-14)11-17-9-12(2)16(4)13(3)10-17/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine?
4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine has a molecular weight of 239.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidin-2-yl)methyl]-1,2,6-trimethylpiperazine is sourced from PubChem (CID 114547073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).