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

C11H19N3 — CID 89311359

IUPAC1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
SMILESCC1=NC=C(CN2CCN(C)CC2)C1
InChIInChI=1S/C11H19N3/c1-10-7-11(8-12-10)9-14-5-3-13(2)4-6-14/h8H,3-7,9H2,1-2H3
InChIKeyVLTCEPSJMWONPR-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.98
Rot. Bonds2

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

1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine (PubChem CID 89311359) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
PubChem CID89311359
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
SMILESCC1=NC=C(CN2CCN(C)CC2)C1
InChIInChI=1S/C11H19N3/c1-10-7-11(8-12-10)9-14-5-3-13(2)4-6-14/h8H,3-7,9H2,1-2H3
InChIKeyVLTCEPSJMWONPR-UHFFFAOYSA-N
XLogP0.98
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine (CID 89311359) is 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine is CC1=NC=C(CN2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine?
The InChIKey is VLTCEPSJMWONPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10-7-11(8-12-10)9-14-5-3-13(2)4-6-14/h8H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine?
1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine is sourced from PubChem (CID 89311359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).