3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine

C11H23N3 — CID 65448835

IUPAC3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC1CN(CCN2CCCC2)CCN1
InChIInChI=1S/C11H23N3/c1-11-10-14(7-4-12-11)9-8-13-5-2-3-6-13/h11-12H,2-10H2,1H3
InChIKeyIWRHNAJQVNHYAI-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.38
Rot. Bonds3

About 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine

3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine (PubChem CID 65448835) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
PubChem CID65448835
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
SMILESCC1CN(CCN2CCCC2)CCN1
InChIInChI=1S/C11H23N3/c1-11-10-14(7-4-12-11)9-8-13-5-2-3-6-13/h11-12H,2-10H2,1H3
InChIKeyIWRHNAJQVNHYAI-UHFFFAOYSA-N
XLogP0.38
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N,N-dimethyl-3-[(3R)-3-methylpiperazin-1-yl]propan-1-amine
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(3R)-3-methyl-1-(3-methylbut-3-enyl)piperazine
CID 104975739
3-methyl-1-(2-methylsulfonylethyl)piperazine
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2-methyl-4-(3-methylpiperazin-1-yl)butan-2-ol
CID 79355818
1-(3-fluoropropyl)-3-methyl-1,4-diazepane
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CID 106211631

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The IUPAC name of 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine (CID 65448835) is 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine.
What is the SMILES notation for 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The canonical SMILES for 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine is CC1CN(CCN2CCCC2)CCN1.
What is the InChIKey of 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
The InChIKey is IWRHNAJQVNHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11-10-14(7-4-12-11)9-8-13-5-2-3-6-13/h11-12H,2-10H2,1H3.
What are the key properties of 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine?
3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine has a molecular weight of 197.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine is sourced from PubChem (CID 65448835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).