1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine

C12H25N3 — CID 127711647

IUPAC1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
SMILESCN1CCN(CCC2CCCN2C)CC1
InChIInChI=1S/C12H25N3/c1-13-8-10-15(11-9-13)7-5-12-4-3-6-14(12)2/h12H,3-11H2,1-2H3
InChIKeyUHQJMTDQTGILKV-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.72
Rot. Bonds3

About 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine

1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine (PubChem CID 127711647) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
PubChem CID127711647
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
SMILESCN1CCN(CCC2CCCN2C)CC1
InChIInChI=1S/C12H25N3/c1-13-8-10-15(11-9-13)7-5-12-4-3-6-14(12)2/h12H,3-11H2,1-2H3
InChIKeyUHQJMTDQTGILKV-UHFFFAOYSA-N
XLogP0.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-yl]methanamine
CID 55176250
2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
CID 107914062
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
1-methyl-2-tetradecylpyrrolidine
CID 24796983
(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
CID 51627761
3-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 82892128

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine (CID 127711647) is 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine is CN1CCN(CCC2CCCN2C)CC1.
What is the InChIKey of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine?
The InChIKey is UHQJMTDQTGILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-13-8-10-15(11-9-13)7-5-12-4-3-6-14(12)2/h12H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine?
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine has a molecular weight of 211.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine is sourced from PubChem (CID 127711647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).