1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine

C19H33N3O2 — CID 142367845

IUPAC1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine
SMILESCOCC(C)CC(C)(C)CN1CCN(c2ccc(OC)nc2)CC1
InChIInChI=1S/C19H33N3O2/c1-16(14-23-4)12-19(2,3)15-21-8-10-22(11-9-21)17-6-7-18(24-5)20-13-17/h6-7,13,16H,8-12,14-15H2,1-5H3
InChIKeyGCMCMZVLEPTOCG-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.91
Rot. Bonds8

About 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine

1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine (PubChem CID 142367845) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine
PubChem CID142367845
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine
SMILESCOCC(C)CC(C)(C)CN1CCN(c2ccc(OC)nc2)CC1
InChIInChI=1S/C19H33N3O2/c1-16(14-23-4)12-19(2,3)15-21-8-10-22(11-9-21)17-6-7-18(24-5)20-13-17/h6-7,13,16H,8-12,14-15H2,1-5H3
InChIKeyGCMCMZVLEPTOCG-UHFFFAOYSA-N
XLogP2.91
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine (CID 142367845) is 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine is COCC(C)CC(C)(C)CN1CCN(c2ccc(OC)nc2)CC1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine?
The InChIKey is GCMCMZVLEPTOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-16(14-23-4)12-19(2,3)15-21-8-10-22(11-9-21)17-6-7-18(24-5)20-13-17/h6-7,13,16H,8-12,14-15H2,1-5H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine?
1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine has a molecular weight of 335.49 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-4-(5-methoxy-2,2,4-trimethylpentyl)piperazine is sourced from PubChem (CID 142367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).