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

C19H22N2O2 — CID 118705984

IUPAC1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol
SMILESOC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22N2O2/c22-18-12-16-6-9-20-13-17(16)19(23-18)7-10-21(11-8-19)14-15-4-2-1-3-5-15/h1-6,9,13,18,22H,7-8,10-12,14H2
InChIKeyDWWSDFLAKBQENE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.46
Rot. Bonds2

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

1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol (PubChem CID 118705984) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol.

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol
PubChem CID118705984
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol
SMILESOC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H22N2O2/c22-18-12-16-6-9-20-13-17(16)19(23-18)7-10-21(11-8-19)14-15-4-2-1-3-5-15/h1-6,9,13,18,22H,7-8,10-12,14H2
InChIKeyDWWSDFLAKBQENE-UHFFFAOYSA-N
XLogP2.46
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol?
The IUPAC name of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol (CID 118705984) is 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol.
What is the SMILES notation for 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol?
The canonical SMILES for 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol is OC1Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol?
The InChIKey is DWWSDFLAKBQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-12-16-6-9-20-13-17(16)19(23-18)7-10-21(11-8-19)14-15-4-2-1-3-5-15/h1-6,9,13,18,22H,7-8,10-12,14H2.
What are the key properties of 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol?
1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol has a molecular weight of 310.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydropyrano[3,4-c]pyridine-1,4'-piperidine]-3-ol is sourced from PubChem (CID 118705984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).