6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]

C17H26N2O — CID 90935889

IUPAC6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]
SMILESCCCN1CCCC2(CCNCC2)Oc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-13-19-14-5-8-17(9-11-18-12-10-17)20-16-7-4-3-6-15(16)19/h3-4,6-7,18H,2,5,8-14H2,1H3
InChIKeyPUDSYFYQAGOGHF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.20
Rot. Bonds2

About 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]

6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine] (PubChem CID 90935889) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine].

Molecular Properties

Compound Name6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]
PubChem CID90935889
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]
SMILESCCCN1CCCC2(CCNCC2)Oc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-13-19-14-5-8-17(9-11-18-12-10-17)20-16-7-4-3-6-15(16)19/h3-4,6-7,18H,2,5,8-14H2,1H3
InChIKeyPUDSYFYQAGOGHF-UHFFFAOYSA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]?
The IUPAC name of 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine] (CID 90935889) is 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine].
What is the SMILES notation for 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]?
The canonical SMILES for 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine] is CCCN1CCCC2(CCNCC2)Oc2ccccc21.
What is the InChIKey of 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]?
The InChIKey is PUDSYFYQAGOGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-13-19-14-5-8-17(9-11-18-12-10-17)20-16-7-4-3-6-15(16)19/h3-4,6-7,18H,2,5,8-14H2,1H3.
What are the key properties of 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine]?
6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine] has a molecular weight of 274.41 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propylspiro[4,5-dihydro-3H-1,6-benzoxazocine-2,4'-piperidine] is sourced from PubChem (CID 90935889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).