(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine

C20H23N — CID 10588595

IUPAC(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
SMILESC[C@@H](c1ccccc1)N1CCC=C[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H23N/c1-17(19-12-6-3-7-13-19)21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-8,10-14,17,20H,9,15-16H2,1H3/t17-,20+/m0/s1
InChIKeyIEOMTEXTYCQBED-FXAWDEMLSA-N
MW277.41 g/mol
LogP4.62
Rot. Bonds4

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

(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine (PubChem CID 10588595) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
PubChem CID10588595
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine
SMILESC[C@@H](c1ccccc1)N1CCC=C[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H23N/c1-17(19-12-6-3-7-13-19)21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-8,10-14,17,20H,9,15-16H2,1H3/t17-,20+/m0/s1
InChIKeyIEOMTEXTYCQBED-FXAWDEMLSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-3,4-dimethyl-1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 11722655
1,6-dibenzyl-3,6-dihydro-2H-pyridine
CID 11196325
1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
CID 11254918
benzyl 2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]propanoate
CID 82358742
2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
CID 142660938
(2R)-2-[(6R)-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol
CID 10680302
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
CID 59989968
(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
CID 11667246
1-[(1R)-1-phenylethyl]-3,6-dihydro-2H-pyridine
CID 15468712

Frequently Asked Questions

What is the IUPAC name of (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine (CID 10588595) is (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine is C[C@@H](c1ccccc1)N1CCC=C[C@@H]1Cc1ccccc1.
What is the InChIKey of (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
The InChIKey is IEOMTEXTYCQBED-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H23N/c1-17(19-12-6-3-7-13-19)21-15-9-8-14-20(21)16-18-10-4-2-5-11-18/h2-8,10-14,17,20H,9,15-16H2,1H3/t17-,20+/m0/s1.
What are the key properties of (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine?
(6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine has a molecular weight of 277.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-benzyl-1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10588595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).