1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine

C11H19N3 — CID 170617137

IUPAC1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine
SMILESCN1CCC(C#CN2CCNCC2)C1
InChIInChI=1S/C11H19N3/c1-13-6-2-11(10-13)3-7-14-8-4-12-5-9-14/h11-12H,2,4-6,8-10H2,1H3
InChIKeyQWBDRLDSUWRNJA-UHFFFAOYSA-N
MW193.29 g/mol
LogP-0.20
Rot. Bonds

About 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine

1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine (PubChem CID 170617137) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine
PubChem CID170617137
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine
SMILESCN1CCC(C#CN2CCNCC2)C1
InChIInChI=1S/C11H19N3/c1-13-6-2-11(10-13)3-7-14-8-4-12-5-9-14/h11-12H,2,4-6,8-10H2,1H3
InChIKeyQWBDRLDSUWRNJA-UHFFFAOYSA-N
XLogP-0.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-methylpyrrolidine-3-carbonitrile
CID 67523043
3-ethynyl-1-methylpyrrolidine
CID 89319838
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
CID 177173282
CID 177173282
2-(1-methylpyrrolidin-3-yl)-1,2,5-thiadiazepane 1,1-dioxide
CID 115100971
1,7-dimethyl-1,4-diazonane
CID 59686503
1-methyl-3-(piperidin-4-ylmethyl)piperidin-4-ol
CID 119054544
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
1-(2-propylsulfanylethynyl)piperazine
CID 134987593
1-methylpiperazine;hydrate
CID 23128681
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine?
The IUPAC name of 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine (CID 170617137) is 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine is CN1CCC(C#CN2CCNCC2)C1.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine?
The InChIKey is QWBDRLDSUWRNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-6-2-11(10-13)3-7-14-8-4-12-5-9-14/h11-12H,2,4-6,8-10H2,1H3.
What are the key properties of 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine?
1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of -0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-3-yl)ethynyl]piperazine is sourced from PubChem (CID 170617137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).