1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine

C12H25N3 — CID 63609006

IUPAC1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
SMILESCCN1CCN(CC2CCCN2)CC1C
InChIInChI=1S/C12H25N3/c1-3-15-8-7-14(9-11(15)2)10-12-5-4-6-13-12/h11-13H,3-10H2,1-2H3
InChIKeyUQQZOVUKDMXOLB-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.76
Rot. Bonds3

About 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine

1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine (PubChem CID 63609006) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
PubChem CID63609006
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine
SMILESCCN1CCN(CC2CCCN2)CC1C
InChIInChI=1S/C12H25N3/c1-3-15-8-7-14(9-11(15)2)10-12-5-4-6-13-12/h11-13H,3-10H2,1-2H3
InChIKeyUQQZOVUKDMXOLB-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-methyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819534
1,2-dimethyl-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 102819532
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 66056964
3-propan-2-yl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819669
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63634441
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
3-methyl-1-(pyrrolidin-2-ylmethyl)piperidin-4-ol
CID 106639663
2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
3-methyl-2-[[(2S)-pyrrolidin-2-yl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102819614
2-[(3,4,5-trimethylpiperazin-1-yl)methyl]azepane
CID 114547072
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine?
The IUPAC name of 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine (CID 63609006) is 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine.
What is the SMILES notation for 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine?
The canonical SMILES for 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine is CCN1CCN(CC2CCCN2)CC1C.
What is the InChIKey of 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine?
The InChIKey is UQQZOVUKDMXOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-15-8-7-14(9-11(15)2)10-12-5-4-6-13-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine?
1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-4-(pyrrolidin-2-ylmethyl)piperazine is sourced from PubChem (CID 63609006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).