2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine

C13H27N3 — CID 64977928

IUPAC2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
SMILESCCC1CN(C2CCN(C)C2)C(CC)CN1
InChIInChI=1S/C13H27N3/c1-4-11-9-16(12(5-2)8-14-11)13-6-7-15(3)10-13/h11-14H,4-10H2,1-3H3
InChIKeySWENICJTCQUHMS-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds3

About 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine

2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine (PubChem CID 64977928) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
PubChem CID64977928
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine
SMILESCCC1CN(C2CCN(C)C2)C(CC)CN1
InChIInChI=1S/C13H27N3/c1-4-11-9-16(12(5-2)8-14-11)13-6-7-15(3)10-13/h11-14H,4-10H2,1-3H3
InChIKeySWENICJTCQUHMS-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diethyl-1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 64977779
2-ethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937105
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64935586
2,5-diethyl-1-(oxolan-3-yl)piperazine
CID 64843081
5-cyclopropyl-2-ethyl-1-(1-methylpiperidin-3-yl)piperazine
CID 64935911
2,5-diethyl-1-(3-methylcyclohexyl)piperazine
CID 64934041
1-(1,3-dimethylpiperidin-4-yl)-2-ethyl-5-propylpiperazine
CID 114506178
5-butan-2-yl-2-ethyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937106
1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
CID 114506139
1-(2,2-diethyloxan-4-yl)-2,5-diethylpiperazine
CID 83039148
1-cyclooctyl-2-ethyl-5-(2-methylpropyl)piperazine
CID 64931371
2,5-diethyl-1-(2-methoxycyclopentyl)piperazine
CID 64946212

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine?
The IUPAC name of 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine (CID 64977928) is 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine is CCC1CN(C2CCN(C)C2)C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine?
The InChIKey is SWENICJTCQUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-11-9-16(12(5-2)8-14-11)13-6-7-15(3)10-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine?
2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine has a molecular weight of 225.38 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(1-methylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 64977928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).