2-(1-methylpyrrolidin-2-yl)piperazine

C9H19N3 — CID 174931045

IUPAC2-(1-methylpyrrolidin-2-yl)piperazine
SMILESCN1CCCC1C1CNCCN1
InChIInChI=1S/C9H19N3/c1-12-6-2-3-9(12)8-7-10-4-5-11-8/h8-11H,2-7H2,1H3
InChIKeyGPLBGANKZYCOGU-UHFFFAOYSA-N
MW169.27 g/mol
LogP-0.36
Rot. Bonds1

About 2-(1-methylpyrrolidin-2-yl)piperazine

2-(1-methylpyrrolidin-2-yl)piperazine (PubChem CID 174931045) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)piperazine.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)piperazine
PubChem CID174931045
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-(1-methylpyrrolidin-2-yl)piperazine
SMILESCN1CCCC1C1CNCCN1
InChIInChI=1S/C9H19N3/c1-12-6-2-3-9(12)8-7-10-4-5-11-8/h8-11H,2-7H2,1H3
InChIKeyGPLBGANKZYCOGU-UHFFFAOYSA-N
XLogP-0.36
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,8aR)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-1,5-naphthyridine
CID 54339853
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
CID 130417846
(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
CID 124718938
4-methyl-2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepine
CID 83479742
(3aS,9aR)-1-methyl-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 73440416
2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
CID 135393059
(1R,6R)-2-methyl-2,5-diazabicyclo[4.2.0]octane
CID 155972992
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 67722841
2-pyrrolidin-2-ylpiperazine
CID 163488411
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
(2S)-2-[4-(azacyclododec-2-yl)cyclohexyl]-1-methyl-azacyclododecane
CID 90429318

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)piperazine?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)piperazine (CID 174931045) is 2-(1-methylpyrrolidin-2-yl)piperazine.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)piperazine?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)piperazine is CN1CCCC1C1CNCCN1.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)piperazine?
The InChIKey is GPLBGANKZYCOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-12-6-2-3-9(12)8-7-10-4-5-11-8/h8-11H,2-7H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)piperazine?
2-(1-methylpyrrolidin-2-yl)piperazine has a molecular weight of 169.27 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)piperazine is sourced from PubChem (CID 174931045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).