1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine

C16H21NO2 — CID 11971149

IUPAC1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC1(C2=CCN(Cc3ccccc3)CC2)OCCO1
InChIInChI=1S/C16H21NO2/c1-16(18-11-12-19-16)15-7-9-17(10-8-15)13-14-5-3-2-4-6-14/h2-7H,8-13H2,1H3
InChIKeyKUQFLKWSSWDYEK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.58
Rot. Bonds3

About 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine

1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 11971149) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID11971149
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC1(C2=CCN(Cc3ccccc3)CC2)OCCO1
InChIInChI=1S/C16H21NO2/c1-16(18-11-12-19-16)15-7-9-17(10-8-15)13-14-5-3-2-4-6-14/h2-7H,8-13H2,1H3
InChIKeyKUQFLKWSSWDYEK-UHFFFAOYSA-N
XLogP2.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
CID 10640829
N,N-dibenzyl-1-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)cyclopropan-1-amine
CID 21670167
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
8-[(4-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467323
N-benzyl-N-ethyl-3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propan-1-amine
CID 20283048
N-benzyl-3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-N-methylpropan-1-amine
CID 20283050
8-(3,4-Difluorobenzyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
[2-(1-Benzylpiperidin-4-yl)-1,3-dioxolan-2-yl]methanol
CID 333883
1-Benzyl-4,4-diethoxypiperidine
CID 3925935
N-benzyl-4,4-diethoxy-N-methylbutan-1-amine
CID 13994545

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine (CID 11971149) is 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine is CC1(C2=CCN(Cc3ccccc3)CC2)OCCO1.
What is the InChIKey of 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is KUQFLKWSSWDYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(18-11-12-19-16)15-7-9-17(10-8-15)13-14-5-3-2-4-6-14/h2-7H,8-13H2,1H3.
What are the key properties of 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine?
1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 259.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11971149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).