5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine

C17H29N3O — CID 64936261

IUPAC5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccnc(OC)c2)C(CC)CN1
InChIInChI=1S/C17H29N3O/c1-5-13(3)16-12-20(15(6-2)10-19-16)11-14-7-8-18-17(9-14)21-4/h7-9,13,15-16,19H,5-6,10-12H2,1-4H3
InChIKeyYRQZXSQNPVVSBC-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.69
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine

5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine (PubChem CID 64936261) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
PubChem CID64936261
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccnc(OC)c2)C(CC)CN1
InChIInChI=1S/C17H29N3O/c1-5-13(3)16-12-20(15(6-2)10-19-16)11-14-7-8-18-17(9-14)21-4/h7-9,13,15-16,19H,5-6,10-12H2,1-4H3
InChIKeyYRQZXSQNPVVSBC-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine (CID 64936261) is 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine is CCC(C)C1CN(Cc2ccnc(OC)c2)C(CC)CN1.
What is the InChIKey of 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine?
The InChIKey is YRQZXSQNPVVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-13(3)16-12-20(15(6-2)10-19-16)11-14-7-8-18-17(9-14)21-4/h7-9,13,15-16,19H,5-6,10-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine?
5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine has a molecular weight of 291.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 64936261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).