6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine

C22H27N — CID 11722655

IUPAC6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CC(Cc2ccccc2)N([C@H](C)c2ccccc2)CC1C
InChIInChI=1S/C22H27N/c1-17-14-22(15-20-10-6-4-7-11-20)23(16-18(17)2)19(3)21-12-8-5-9-13-21/h4-14,18-19,22H,15-16H2,1-3H3/t18?,19-,22?/m1/s1
InChIKeyZHGFTOFAKNOXGW-GSVIPDFHSA-N
MW305.47 g/mol
LogP5.26
Rot. Bonds4

About 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine

6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine (PubChem CID 11722655) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
PubChem CID11722655
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
SMILESCC1=CC(Cc2ccccc2)N([C@H](C)c2ccccc2)CC1C
InChIInChI=1S/C22H27N/c1-17-14-22(15-20-10-6-4-7-11-20)23(16-18(17)2)19(3)21-12-8-5-9-13-21/h4-14,18-19,22H,15-16H2,1-3H3/t18?,19-,22?/m1/s1
InChIKeyZHGFTOFAKNOXGW-GSVIPDFHSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.26
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 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine (CID 11722655) is 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine is CC1=CC(Cc2ccccc2)N([C@H](C)c2ccccc2)CC1C.
What is the InChIKey of 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is ZHGFTOFAKNOXGW-GSVIPDFHSA-N. The full InChI is InChI=1S/C22H27N/c1-17-14-22(15-20-10-6-4-7-11-20)23(16-18(17)2)19(3)21-12-8-5-9-13-21/h4-14,18-19,22H,15-16H2,1-3H3/t18?,19-,22?/m1/s1.
What are the key properties of 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 305.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11722655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).