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

C19H20N2O — CID 118705986

IUPAC1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]
SMILESC1=Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H20N2O/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/h1-7,10,13-14H,8-9,11-12,15H2
InChIKeyDUICEYXGXROQFT-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.57
Rot. Bonds2

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

1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine] (PubChem CID 118705986) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine].

Molecular Properties

Compound Name1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]
PubChem CID118705986
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]
SMILESC1=Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C19H20N2O/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/h1-7,10,13-14H,8-9,11-12,15H2
InChIKeyDUICEYXGXROQFT-UHFFFAOYSA-N
XLogP3.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]?
The IUPAC name of 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine] (CID 118705986) is 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine].
What is the SMILES notation for 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]?
The canonical SMILES for 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine] is C1=Cc2ccncc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]?
The InChIKey is DUICEYXGXROQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/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/h1-7,10,13-14H,8-9,11-12,15H2.
What are the key properties of 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine]?
1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine] has a molecular weight of 292.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylspiro[piperidine-4,1'-pyrano[3,4-c]pyridine] is sourced from PubChem (CID 118705986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).