1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine

C10H17N3 — CID 89311358

IUPAC1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine
SMILESCN1CCN(CC2=CN=CC2)CC1
InChIInChI=1S/C10H17N3/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10/h3,8H,2,4-7,9H2,1H3
InChIKeyTUWWWEASWKXZLJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.59
Rot. Bonds2

About 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine

1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine (PubChem CID 89311358) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine
PubChem CID89311358
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine
SMILESCN1CCN(CC2=CN=CC2)CC1
InChIInChI=1S/C10H17N3/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10/h3,8H,2,4-7,9H2,1H3
InChIKeyTUWWWEASWKXZLJ-UHFFFAOYSA-N
XLogP0.59
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine?
The IUPAC name of 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine (CID 89311358) is 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine is CN1CCN(CC2=CN=CC2)CC1.
What is the InChIKey of 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine?
The InChIKey is TUWWWEASWKXZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10/h3,8H,2,4-7,9H2,1H3.
What are the key properties of 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine?
1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine has a molecular weight of 179.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3H-pyrrol-4-ylmethyl)piperazine is sourced from PubChem (CID 89311358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).