1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine

C12H21N3 — CID 82283605

IUPAC1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
SMILESCC(C)C(c1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-10(2)12(11-3-4-14-9-11)15-7-5-13-6-8-15/h3-4,9-10,12-14H,5-8H2,1-2H3
InChIKeyKCAZSQIJEZDAHU-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.62
Rot. Bonds3

About 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine

1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine (PubChem CID 82283605) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
PubChem CID82283605
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine
SMILESCC(C)C(c1cc[nH]c1)N1CCNCC1
InChIInChI=1S/C12H21N3/c1-10(2)12(11-3-4-14-9-11)15-7-5-13-6-8-15/h3-4,9-10,12-14H,5-8H2,1-2H3
InChIKeyKCAZSQIJEZDAHU-UHFFFAOYSA-N
XLogP1.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-piperazin-1-ylpropyl)-1H-pyrrol-3-amine
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1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
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1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
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1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
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1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine?
The IUPAC name of 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine (CID 82283605) is 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine.
What is the SMILES notation for 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine?
The canonical SMILES for 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine is CC(C)C(c1cc[nH]c1)N1CCNCC1.
What is the InChIKey of 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine?
The InChIKey is KCAZSQIJEZDAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)12(11-3-4-14-9-11)15-7-5-13-6-8-15/h3-4,9-10,12-14H,5-8H2,1-2H3.
What are the key properties of 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine?
1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine has a molecular weight of 207.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(1H-pyrrol-3-yl)propyl]piperazine is sourced from PubChem (CID 82283605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).