1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine

C9H17N3 — CID 23199978

IUPAC1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine
SMILESCN1CCC=C1N1CCNCC1
InChIInChI=1S/C9H17N3/c1-11-6-2-3-9(11)12-7-4-10-5-8-12/h3,10H,2,4-8H2,1H3
InChIKeyYFNUSPZQQCPWST-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.07
Rot. Bonds1

About 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine

1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine (PubChem CID 23199978) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine.

Molecular Properties

Compound Name1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine
PubChem CID23199978
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine
SMILESCN1CCC=C1N1CCNCC1
InChIInChI=1S/C9H17N3/c1-11-6-2-3-9(11)12-7-4-10-5-8-12/h3,10H,2,4-8H2,1H3
InChIKeyYFNUSPZQQCPWST-UHFFFAOYSA-N
XLogP0.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine?
The IUPAC name of 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine (CID 23199978) is 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine.
What is the SMILES notation for 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine?
The canonical SMILES for 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine is CN1CCC=C1N1CCNCC1.
What is the InChIKey of 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine?
The InChIKey is YFNUSPZQQCPWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-6-2-3-9(11)12-7-4-10-5-8-12/h3,10H,2,4-8H2,1H3.
What are the key properties of 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine?
1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine has a molecular weight of 167.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2,3-dihydropyrrol-5-yl)piperazine is sourced from PubChem (CID 23199978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).