1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]

C25H32FNO — CID 23361189

IUPAC1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
SMILESCCCCN1CCCCC12CCc1cc(OCc3ccc(F)cc3)ccc1C2
InChIInChI=1S/C25H32FNO/c1-2-3-15-27-16-5-4-13-25(27)14-12-21-17-24(11-8-22(21)18-25)28-19-20-6-9-23(26)10-7-20/h6-11,17H,2-5,12-16,18-19H2,1H3
InChIKeyILZBSMKOUROOFL-UHFFFAOYSA-N
MW381.54 g/mol
LogP5.92
Rot. Bonds6

About 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]

1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] (PubChem CID 23361189) has the molecular formula C25H32FNO and a molecular weight of 381.54 g/mol. Its IUPAC name is 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine].

Molecular Properties

Compound Name1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
PubChem CID23361189
Molecular FormulaC25H32FNO
Molecular Weight381.54 g/mol
Exact Mass381.25
IUPAC Name1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
SMILESCCCCN1CCCCC12CCc1cc(OCc3ccc(F)cc3)ccc1C2
InChIInChI=1S/C25H32FNO/c1-2-3-15-27-16-5-4-13-25(27)14-12-21-17-24(11-8-22(21)18-25)28-19-20-6-9-23(26)10-7-20/h6-11,17H,2-5,12-16,18-19H2,1H3
InChIKeyILZBSMKOUROOFL-UHFFFAOYSA-N
XLogP5.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The IUPAC name of 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] (CID 23361189) is 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine].
What is the SMILES notation for 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The canonical SMILES for 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] is CCCCN1CCCCC12CCc1cc(OCc3ccc(F)cc3)ccc1C2.
What is the InChIKey of 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The InChIKey is ILZBSMKOUROOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO/c1-2-3-15-27-16-5-4-13-25(27)14-12-21-17-24(11-8-22(21)18-25)28-19-20-6-9-23(26)10-7-20/h6-11,17H,2-5,12-16,18-19H2,1H3.
What are the key properties of 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] has a molecular weight of 381.54 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butyl-7-[(4-fluorophenyl)methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] is sourced from PubChem (CID 23361189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).