1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine

C14H25N3 — CID 142390177

IUPAC1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
SMILESCN1CCN(CCCCCC2=NCC=C2)CC1
InChIInChI=1S/C14H25N3/c1-16-10-12-17(13-11-16)9-4-2-3-6-14-7-5-8-15-14/h5,7H,2-4,6,8-13H2,1H3
InChIKeySTIVVMXDWRDODP-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.80
Rot. Bonds6

About 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine

1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine (PubChem CID 142390177) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
PubChem CID142390177
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
SMILESCN1CCN(CCCCCC2=NCC=C2)CC1
InChIInChI=1S/C14H25N3/c1-16-10-12-17(13-11-16)9-4-2-3-6-14-7-5-8-15-14/h5,7H,2-4,6,8-13H2,1H3
InChIKeySTIVVMXDWRDODP-UHFFFAOYSA-N
XLogP1.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
The IUPAC name of 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine (CID 142390177) is 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
The canonical SMILES for 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine is CN1CCN(CCCCCC2=NCC=C2)CC1.
What is the InChIKey of 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
The InChIKey is STIVVMXDWRDODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-16-10-12-17(13-11-16)9-4-2-3-6-14-7-5-8-15-14/h5,7H,2-4,6,8-13H2,1H3.
What are the key properties of 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine has a molecular weight of 235.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine is sourced from PubChem (CID 142390177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).