(3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]

C21H21FN2 — CID 135066726

IUPAC(3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]
SMILESC=C[C@H]1CN(Cc2ccccc2)CC[C@@]12C=Nc1ccc(F)cc12
InChIInChI=1S/C21H21FN2/c1-2-17-14-24(13-16-6-4-3-5-7-16)11-10-21(17)15-23-20-9-8-18(22)12-19(20)21/h2-9,12,15,17H,1,10-11,13-14H2/t17-,21+/m0/s1
InChIKeyAMVYSZNCBOBMKN-LAUBAEHRSA-N
MW320.41 g/mol
LogP4.49
Rot. Bonds3

About (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]

(3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine] (PubChem CID 135066726) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine].

Molecular Properties

Compound Name(3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]
PubChem CID135066726
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name(3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]
SMILESC=C[C@H]1CN(Cc2ccccc2)CC[C@@]12C=Nc1ccc(F)cc12
InChIInChI=1S/C21H21FN2/c1-2-17-14-24(13-16-6-4-3-5-7-16)11-10-21(17)15-23-20-9-8-18(22)12-19(20)21/h2-9,12,15,17H,1,10-11,13-14H2/t17-,21+/m0/s1
InChIKeyAMVYSZNCBOBMKN-LAUBAEHRSA-N
XLogP4.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]?
The IUPAC name of (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine] (CID 135066726) is (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine].
What is the SMILES notation for (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]?
The canonical SMILES for (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine] is C=C[C@H]1CN(Cc2ccccc2)CC[C@@]12C=Nc1ccc(F)cc12.
What is the InChIKey of (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]?
The InChIKey is AMVYSZNCBOBMKN-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H21FN2/c1-2-17-14-24(13-16-6-4-3-5-7-16)11-10-21(17)15-23-20-9-8-18(22)12-19(20)21/h2-9,12,15,17H,1,10-11,13-14H2/t17-,21+/m0/s1.
What are the key properties of (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine]?
(3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine] has a molecular weight of 320.41 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R)-1'-benzyl-3'-ethenyl-5-fluorospiro[indole-3,4'-piperidine] is sourced from PubChem (CID 135066726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).