1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine

C14H23N3 — CID 129029428

IUPAC1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine
SMILESC=C(C1=NCC(CCC)=C1)N1CCN(C)CC1
InChIInChI=1S/C14H23N3/c1-4-5-13-10-14(15-11-13)12(2)17-8-6-16(3)7-9-17/h10H,2,4-9,11H2,1,3H3
InChIKeyLFBKAWZJYWXWJW-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.93
Rot. Bonds4

About 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine

1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine (PubChem CID 129029428) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine
PubChem CID129029428
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine
SMILESC=C(C1=NCC(CCC)=C1)N1CCN(C)CC1
InChIInChI=1S/C14H23N3/c1-4-5-13-10-14(15-11-13)12(2)17-8-6-16(3)7-9-17/h10H,2,4-9,11H2,1,3H3
InChIKeyLFBKAWZJYWXWJW-UHFFFAOYSA-N
XLogP1.93
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine?
The IUPAC name of 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine (CID 129029428) is 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine is C=C(C1=NCC(CCC)=C1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine?
The InChIKey is LFBKAWZJYWXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-5-13-10-14(15-11-13)12(2)17-8-6-16(3)7-9-17/h10H,2,4-9,11H2,1,3H3.
What are the key properties of 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine?
1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine has a molecular weight of 233.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(3-propyl-2H-pyrrol-5-yl)ethenyl]piperazine is sourced from PubChem (CID 129029428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).