1-(4-methyl-3H-pyrrol-2-yl)piperazine

C9H15N3 — CID 167540012

IUPAC1-(4-methyl-3H-pyrrol-2-yl)piperazine
SMILESCC1=CN=C(N2CCNCC2)C1
InChIInChI=1S/C9H15N3/c1-8-6-9(11-7-8)12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyBBDYHILWJUJXHI-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.60
Rot. Bonds

About 1-(4-methyl-3H-pyrrol-2-yl)piperazine

1-(4-methyl-3H-pyrrol-2-yl)piperazine (PubChem CID 167540012) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(4-methyl-3H-pyrrol-2-yl)piperazine.

Molecular Properties

Compound Name1-(4-methyl-3H-pyrrol-2-yl)piperazine
PubChem CID167540012
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(4-methyl-3H-pyrrol-2-yl)piperazine
SMILESCC1=CN=C(N2CCNCC2)C1
InChIInChI=1S/C9H15N3/c1-8-6-9(11-7-8)12-4-2-10-3-5-12/h7,10H,2-6H2,1H3
InChIKeyBBDYHILWJUJXHI-UHFFFAOYSA-N
XLogP0.60
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(4-methyl-3H-pyrrol-2-yl)piperazine
CID 60002151
N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
CID 123148170
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
1-(5-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 156059049
(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine
CID 163982230
3-tert-butyl-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine
CID 172500517

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3H-pyrrol-2-yl)piperazine?
The IUPAC name of 1-(4-methyl-3H-pyrrol-2-yl)piperazine (CID 167540012) is 1-(4-methyl-3H-pyrrol-2-yl)piperazine.
What is the SMILES notation for 1-(4-methyl-3H-pyrrol-2-yl)piperazine?
The canonical SMILES for 1-(4-methyl-3H-pyrrol-2-yl)piperazine is CC1=CN=C(N2CCNCC2)C1.
What is the InChIKey of 1-(4-methyl-3H-pyrrol-2-yl)piperazine?
The InChIKey is BBDYHILWJUJXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-6-9(11-7-8)12-4-2-10-3-5-12/h7,10H,2-6H2,1H3.
What are the key properties of 1-(4-methyl-3H-pyrrol-2-yl)piperazine?
1-(4-methyl-3H-pyrrol-2-yl)piperazine has a molecular weight of 165.24 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3H-pyrrol-2-yl)piperazine is sourced from PubChem (CID 167540012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).