1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine

C14H21N3 — CID 174333523

IUPAC1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine
SMILESC=Cc1ccc(N2CCN(CC)CC2)c(C)n1
InChIInChI=1S/C14H21N3/c1-4-13-6-7-14(12(3)15-13)17-10-8-16(5-2)9-11-17/h4,6-7H,1,5,8-11H2,2-3H3
InChIKeyKFCIDKKDVDAXIS-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.17
Rot. Bonds3

About 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine

1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine (PubChem CID 174333523) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine
PubChem CID174333523
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine
SMILESC=Cc1ccc(N2CCN(CC)CC2)c(C)n1
InChIInChI=1S/C14H21N3/c1-4-13-6-7-14(12(3)15-13)17-10-8-16(5-2)9-11-17/h4,6-7H,1,5,8-11H2,2-3H3
InChIKeyKFCIDKKDVDAXIS-UHFFFAOYSA-N
XLogP2.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine?
The IUPAC name of 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine (CID 174333523) is 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine?
The canonical SMILES for 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine is C=Cc1ccc(N2CCN(CC)CC2)c(C)n1.
What is the InChIKey of 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine?
The InChIKey is KFCIDKKDVDAXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-13-6-7-14(12(3)15-13)17-10-8-16(5-2)9-11-17/h4,6-7H,1,5,8-11H2,2-3H3.
What are the key properties of 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine?
1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine has a molecular weight of 231.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-2-methyl-3-pyridinyl)-4-ethylpiperazine is sourced from PubChem (CID 174333523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).