2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine

C15H26N4O — CID 63591436

IUPAC2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCCOc1cccc(N2CCN(C(CC)CN)CC2)n1
InChIInChI=1S/C15H26N4O/c1-3-13(12-16)18-8-10-19(11-9-18)14-6-5-7-15(17-14)20-4-2/h5-7,13H,3-4,8-12,16H2,1-2H3
InChIKeyXHXDRSQASQAKDO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.34
Rot. Bonds6

About 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine

2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine (PubChem CID 63591436) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
PubChem CID63591436
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCCOc1cccc(N2CCN(C(CC)CN)CC2)n1
InChIInChI=1S/C15H26N4O/c1-3-13(12-16)18-8-10-19(11-9-18)14-6-5-7-15(17-14)20-4-2/h5-7,13H,3-4,8-12,16H2,1-2H3
InChIKeyXHXDRSQASQAKDO-UHFFFAOYSA-N
XLogP1.34
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine (CID 63591436) is 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine is CCOc1cccc(N2CCN(C(CC)CN)CC2)n1.
What is the InChIKey of 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The InChIKey is XHXDRSQASQAKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-13(12-16)18-8-10-19(11-9-18)14-6-5-7-15(17-14)20-4-2/h5-7,13H,3-4,8-12,16H2,1-2H3.
What are the key properties of 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine?
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 63591436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).