1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]

C19H22N2O — CID 102143524

IUPAC1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2ccncc23)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-16(5-3-1)15-21-11-8-19(9-12-21)18-14-20-10-6-17(18)7-13-22-19/h1-6,10,14H,7-9,11-13,15H2
InChIKeyHOBYTXMRVMSYGO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.15
Rot. Bonds2

About 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]

1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine] (PubChem CID 102143524) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]
PubChem CID102143524
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2ccncc23)cc1
InChIInChI=1S/C19H22N2O/c1-2-4-16(5-3-1)15-21-11-8-19(9-12-21)18-14-20-10-6-17(18)7-13-22-19/h1-6,10,14H,7-9,11-13,15H2
InChIKeyHOBYTXMRVMSYGO-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CID 11710246
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
2-Methyl-4-phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983453
4-(2-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983454
4-(3-Methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983578
4-(4-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983703
3-(Tetrahydro-2-furanyl)pyridine
CID 53908098
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
CID 44299128
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine] (CID 102143524) is 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCCc2ccncc23)cc1.
What is the InChIKey of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]?
The InChIKey is HOBYTXMRVMSYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-4-16(5-3-1)15-21-11-8-19(9-12-21)18-14-20-10-6-17(18)7-13-22-19/h1-6,10,14H,7-9,11-13,15H2.
What are the key properties of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]?
1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine] has a molecular weight of 294.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine] is sourced from PubChem (CID 102143524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).