[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol

C16H24N2O — CID 114412400

IUPAC[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
SMILESCC1=CCN(c2cc(CO)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H24N2O/c1-12-5-7-18(8-6-12)15-10-13(11-19)9-14(17-15)16(2,3)4/h5,9-10,19H,6-8,11H2,1-4H3
InChIKeyHAIUBQWSWJBUOA-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.03
Rot. Bonds2

About [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol

[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol (PubChem CID 114412400) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
PubChem CID114412400
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol
SMILESCC1=CCN(c2cc(CO)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C16H24N2O/c1-12-5-7-18(8-6-12)15-10-13(11-19)9-14(17-15)16(2,3)4/h5,9-10,19H,6-8,11H2,1-4H3
InChIKeyHAIUBQWSWJBUOA-UHFFFAOYSA-N
XLogP3.03
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol (CID 114412400) is [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol is CC1=CCN(c2cc(CO)cc(C(C)(C)C)n2)CC1.
What is the InChIKey of [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
The InChIKey is HAIUBQWSWJBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-5-7-18(8-6-12)15-10-13(11-19)9-14(17-15)16(2,3)4/h5,9-10,19H,6-8,11H2,1-4H3.
What are the key properties of [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol?
[2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol has a molecular weight of 260.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 114412400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).