ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate

C19H23N3O2 — CID 66545192

IUPACethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-10-18(20-17)22-13-11-21(12-14-22)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKeyRZRSCEMCRCQYGG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds5

About ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate

ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate (PubChem CID 66545192) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
PubChem CID66545192
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Nameethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-10-18(20-17)22-13-11-21(12-14-22)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKeyRZRSCEMCRCQYGG-UHFFFAOYSA-N
XLogP2.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate (CID 66545192) is ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate is CCOC(=O)c1cccc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate?
The InChIKey is RZRSCEMCRCQYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-10-18(20-17)22-13-11-21(12-14-22)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3.
What are the key properties of ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate?
ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 66545192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).