1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]

C19H22N2O — CID 941932

IUPAC1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)Nc2ccccc2CO3)cc1
InChIInChI=1S/C19H22N2O/c1-2-6-16(7-3-1)14-21-12-10-19(11-13-21)20-18-9-5-4-8-17(18)15-22-19/h1-9,20H,10-15H2
InChIKeyPDFNQFKOWIQHLD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.62
Rot. Bonds2

About 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]

1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine] (PubChem CID 941932) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]
PubChem CID941932
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)Nc2ccccc2CO3)cc1
InChIInChI=1S/C19H22N2O/c1-2-6-16(7-3-1)14-21-12-10-19(11-13-21)20-18-9-5-4-8-17(18)15-22-19/h1-9,20H,10-15H2
InChIKeyPDFNQFKOWIQHLD-UHFFFAOYSA-N
XLogP3.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine] (CID 941932) is 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine] is c1ccc(CN2CCC3(CC2)Nc2ccccc2CO3)cc1.
What is the InChIKey of 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]?
The InChIKey is PDFNQFKOWIQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-6-16(7-3-1)14-21-12-10-19(11-13-21)20-18-9-5-4-8-17(18)15-22-19/h1-9,20H,10-15H2.
What are the key properties of 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine]?
1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine] has a molecular weight of 294.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1,4-dihydro-3,1-benzoxazine-2,4'-piperidine] is sourced from PubChem (CID 941932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).