2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine

C15H25N3 — CID 64936374

IUPAC2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
SMILESCC(C)C1CN(C(C)c2ccncc2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-11(2)15-10-18(12(3)9-17-15)13(4)14-5-7-16-8-6-14/h5-8,11-13,15,17H,9-10H2,1-4H3
InChIKeySJMIBUUJVKALJE-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine

2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine (PubChem CID 64936374) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
PubChem CID64936374
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
SMILESCC(C)C1CN(C(C)c2ccncc2)C(C)CN1
InChIInChI=1S/C15H25N3/c1-11(2)15-10-18(12(3)9-17-15)13(4)14-5-7-16-8-6-14/h5-8,11-13,15,17H,9-10H2,1-4H3
InChIKeySJMIBUUJVKALJE-UHFFFAOYSA-N
XLogP2.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
The IUPAC name of 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine (CID 64936374) is 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine is CC(C)C1CN(C(C)c2ccncc2)C(C)CN1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
The InChIKey is SJMIBUUJVKALJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)15-10-18(12(3)9-17-15)13(4)14-5-7-16-8-6-14/h5-8,11-13,15,17H,9-10H2,1-4H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine?
2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine has a molecular weight of 247.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 64936374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).