6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine

C23H28N2 — CID 15402473

IUPAC6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine
SMILESC[C@@H](c1ccccc1)N1CCCC2=C1CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H28N2/c1-19(21-11-6-3-7-12-21)25-15-8-13-22-18-24(16-14-23(22)25)17-20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3/t19-/m0/s1
InChIKeyADBBIBFYBLSTGB-IBGZPJMESA-N
MW332.49 g/mol
LogP5.00
Rot. Bonds4

About 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine

6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine (PubChem CID 15402473) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine.

Molecular Properties

Compound Name6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine
PubChem CID15402473
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine
SMILESC[C@@H](c1ccccc1)N1CCCC2=C1CCN(Cc1ccccc1)C2
InChIInChI=1S/C23H28N2/c1-19(21-11-6-3-7-12-21)25-15-8-13-22-18-24(16-14-23(22)25)17-20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3/t19-/m0/s1
InChIKeyADBBIBFYBLSTGB-IBGZPJMESA-N
XLogP5.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine with MolForge

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Related Compounds

1-benzyl-N-[(1R)-1-phenylethyl]piperidin-4-imine
CID 102438908
1-benzyl-4-[(3S)-3-phenylbutyl]piperazine
CID 1376475
[1,3-bis[(1S)-1-phenylethyl]-1,3-diazinan-2-ylidene]-dimethylazanium
CID 10738008
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
(NE)-N-(1-benzylpiperidin-3-ylidene)hydroxylamine
CID 55027612
N-[(6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methyl]propan-2-amine
CID 114748970
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
1-benzylpiperidin-3-one;hydrate
CID 144851326
(3E)-3-[1-[(1S)-1-phenylethyl]pyrrolidin-2-ylidene]oxan-2-one
CID 11380242
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
1-benzylpiperidin-3-one;ethene
CID 153347429
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine?
The IUPAC name of 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine (CID 15402473) is 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine.
What is the SMILES notation for 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine?
The canonical SMILES for 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine is C[C@@H](c1ccccc1)N1CCCC2=C1CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine?
The InChIKey is ADBBIBFYBLSTGB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2/c1-19(21-11-6-3-7-12-21)25-15-8-13-22-18-24(16-14-23(22)25)17-20-9-4-2-5-10-20/h2-7,9-12,19H,8,13-18H2,1H3/t19-/m0/s1.
What are the key properties of 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine?
6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine has a molecular weight of 332.49 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-[(1S)-1-phenylethyl]-2,3,4,5,7,8-hexahydro-1,6-naphthyridine is sourced from PubChem (CID 15402473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).