1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]

C25H30F3NO — CID 23361160

IUPAC1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
SMILESCCCN1CCCCC12CCc1cc(OCc3ccccc3C(F)(F)F)ccc1C2
InChIInChI=1S/C25H30F3NO/c1-2-14-29-15-6-5-12-24(29)13-11-19-16-22(10-9-20(19)17-24)30-18-21-7-3-4-8-23(21)25(26,27)28/h3-4,7-10,16H,2,5-6,11-15,17-18H2,1H3
InChIKeySWZKQNYCWHQLPU-UHFFFAOYSA-N
MW417.52 g/mol
LogP6.41
Rot. Bonds5

About 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]

1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] (PubChem CID 23361160) has the molecular formula C25H30F3NO and a molecular weight of 417.52 g/mol. Its IUPAC name is 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine].

Molecular Properties

Compound Name1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
PubChem CID23361160
Molecular FormulaC25H30F3NO
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]
SMILESCCCN1CCCCC12CCc1cc(OCc3ccccc3C(F)(F)F)ccc1C2
InChIInChI=1S/C25H30F3NO/c1-2-14-29-15-6-5-12-24(29)13-11-19-16-22(10-9-20(19)17-24)30-18-21-7-3-4-8-23(21)25(26,27)28/h3-4,7-10,16H,2,5-6,11-15,17-18H2,1H3
InChIKeySWZKQNYCWHQLPU-UHFFFAOYSA-N
XLogP6.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The IUPAC name of 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] (CID 23361160) is 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine].
What is the SMILES notation for 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The canonical SMILES for 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] is CCCN1CCCCC12CCc1cc(OCc3ccccc3C(F)(F)F)ccc1C2.
What is the InChIKey of 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
The InChIKey is SWZKQNYCWHQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3NO/c1-2-14-29-15-6-5-12-24(29)13-11-19-16-22(10-9-20(19)17-24)30-18-21-7-3-4-8-23(21)25(26,27)28/h3-4,7-10,16H,2,5-6,11-15,17-18H2,1H3.
What are the key properties of 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine]?
1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] has a molecular weight of 417.52 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propyl-7-[[2-(trifluoromethyl)phenyl]methoxy]spiro[2,4-dihydro-1H-naphthalene-3,2'-piperidine] is sourced from PubChem (CID 23361160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).