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

C17H23N3 — CID 175088304

IUPAC1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine
SMILESCN1CCN(CCc2ccc(C3=NCC=C3)cc2)CC1
InChIInChI=1S/C17H23N3/c1-19-11-13-20(14-12-19)10-8-15-4-6-16(7-5-15)17-3-2-9-18-17/h2-7H,8-14H2,1H3
InChIKeyYTAJJEAXHLTCNK-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.84
Rot. Bonds4

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

1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine (PubChem CID 175088304) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine
PubChem CID175088304
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine
SMILESCN1CCN(CCc2ccc(C3=NCC=C3)cc2)CC1
InChIInChI=1S/C17H23N3/c1-19-11-13-20(14-12-19)10-8-15-4-6-16(7-5-15)17-3-2-9-18-17/h2-7H,8-14H2,1H3
InChIKeyYTAJJEAXHLTCNK-UHFFFAOYSA-N
XLogP1.84
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.84
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-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine (CID 175088304) is 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine is CN1CCN(CCc2ccc(C3=NCC=C3)cc2)CC1.
What is the InChIKey of 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine?
The InChIKey is YTAJJEAXHLTCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19-11-13-20(14-12-19)10-8-15-4-6-16(7-5-15)17-3-2-9-18-17/h2-7H,8-14H2,1H3.
What are the key properties of 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine?
1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine has a molecular weight of 269.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine is sourced from PubChem (CID 175088304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).