6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine

C28H42N2O — CID 66993970

IUPAC6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCCCN1Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C28H42N2O/c1-7-13-24-16-10-11-17-30(24)19-25-21(6)29-26(18-27(25)31-20(4)5)28-22(8-2)14-12-15-23(28)9-3/h12,14-15,18,20,24H,7-11,13,16-17,19H2,1-6H3
InChIKeyXQQCQQSWEIWXJR-UHFFFAOYSA-N
MW422.66 g/mol
LogP7.12
Rot. Bonds9

About 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine

6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine (PubChem CID 66993970) has the molecular formula C28H42N2O and a molecular weight of 422.66 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine
PubChem CID66993970
Molecular FormulaC28H42N2O
Molecular Weight422.66 g/mol
Exact Mass422.33
IUPAC Name6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine
SMILESCCCC1CCCCN1Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C
InChIInChI=1S/C28H42N2O/c1-7-13-24-16-10-11-17-30(24)19-25-21(6)29-26(18-27(25)31-20(4)5)28-22(8-2)14-12-15-23(28)9-3/h12,14-15,18,20,24H,7-11,13,16-17,19H2,1-6H3
InChIKeyXQQCQQSWEIWXJR-UHFFFAOYSA-N
XLogP7.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine (CID 66993970) is 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine is CCCC1CCCCN1Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C.
What is the InChIKey of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine?
The InChIKey is XQQCQQSWEIWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O/c1-7-13-24-16-10-11-17-30(24)19-25-21(6)29-26(18-27(25)31-20(4)5)28-22(8-2)14-12-15-23(28)9-3/h12,14-15,18,20,24H,7-11,13,16-17,19H2,1-6H3.
What are the key properties of 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine?
6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine has a molecular weight of 422.66 g/mol, XLogP of 7.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-2-methyl-4-propan-2-yloxy-3-[(2-propylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 66993970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).