(6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine

C17H25N — CID 125496783

IUPAC(6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC(C(C)(C)C)=C[C@H]1Cc1ccccc1
InChIInChI=1S/C17H25N/c1-17(2,3)15-10-11-18(4)16(13-15)12-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyVLGDJNWDAZLIEN-MRXNPFEDSA-N
MW243.39 g/mol
LogP3.91
Rot. Bonds2

About (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine

(6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 125496783) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID125496783
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC(C(C)(C)C)=C[C@H]1Cc1ccccc1
InChIInChI=1S/C17H25N/c1-17(2,3)15-10-11-18(4)16(13-15)12-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyVLGDJNWDAZLIEN-MRXNPFEDSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine (CID 125496783) is (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC(C(C)(C)C)=C[C@H]1Cc1ccccc1.
What is the InChIKey of (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is VLGDJNWDAZLIEN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N/c1-17(2,3)15-10-11-18(4)16(13-15)12-14-8-6-5-7-9-14/h5-9,13,16H,10-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine?
(6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 243.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-benzyl-4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 125496783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).