2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine

C18H31N3 — CID 79263883

IUPAC2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
SMILESCCCC1CN(Cc2cccc(C)n2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H31N3/c1-6-8-15-12-21(17(11-19-15)18(3,4)5)13-16-10-7-9-14(2)20-16/h7,9-10,15,17,19H,6,8,11-13H2,1-5H3
InChIKeyUXDJBLXOCSBICR-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.38
Rot. Bonds4

About 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine

2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine (PubChem CID 79263883) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
PubChem CID79263883
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine
SMILESCCCC1CN(Cc2cccc(C)n2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H31N3/c1-6-8-15-12-21(17(11-19-15)18(3,4)5)13-16-10-7-9-14(2)20-16/h7,9-10,15,17,19H,6,8,11-13H2,1-5H3
InChIKeyUXDJBLXOCSBICR-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine?
The IUPAC name of 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine (CID 79263883) is 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine.
What is the SMILES notation for 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine?
The canonical SMILES for 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine is CCCC1CN(Cc2cccc(C)n2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine?
The InChIKey is UXDJBLXOCSBICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-8-15-12-21(17(11-19-15)18(3,4)5)13-16-10-7-9-14(2)20-16/h7,9-10,15,17,19H,6,8,11-13H2,1-5H3.
What are the key properties of 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine?
2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine has a molecular weight of 289.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-5-propylpiperazine is sourced from PubChem (CID 79263883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).