1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine

C16H23N — CID 70971463

IUPAC1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
SMILESCCC1=C(CC)CN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N/c1-3-15-10-11-17(13-16(15)4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyUFBWTRKVHNMSFC-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.01
Rot. Bonds4

About 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine

1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine (PubChem CID 70971463) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
PubChem CID70971463
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
SMILESCCC1=C(CC)CN(Cc2ccccc2)CC1
InChIInChI=1S/C16H23N/c1-3-15-10-11-17(13-16(15)4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyUFBWTRKVHNMSFC-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.01
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

2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 10707422
(3Z,4E)-1-benzyl-3,4-di(ethylidene)piperidine
CID 10911293
1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-amine
CID 139357568
1-benzylpiperidin-4-one;butane
CID 70571840
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzylpyrrolidine;propane
CID 143692089
2-benzyl-5-(4-ethylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline
CID 154455310
14-benzyl-2,10-diethyl-14-azatricyclo[9.5.0.03,8]hexadeca-1,3,5,7,10-pentaene
CID 11233643
2-benzyl-6-butyl-3,4-dihydro-1H-isoquinoline
CID 15519083
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine (CID 70971463) is 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine is CCC1=C(CC)CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine?
The InChIKey is UFBWTRKVHNMSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-15-10-11-17(13-16(15)4-2)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine?
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine has a molecular weight of 229.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 70971463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).