(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]

C21H22N2 — CID 102430453

IUPAC(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]
SMILESC=C[C@H]1CN(Cc2ccccc2)CC[C@@]12C=Nc1ccccc12
InChIInChI=1S/C21H22N2/c1-2-18-15-23(14-17-8-4-3-5-9-17)13-12-21(18)16-22-20-11-7-6-10-19(20)21/h2-11,16,18H,1,12-15H2/t18-,21+/m0/s1
InChIKeyGUJBHEIKXYLMAW-GHTZIAJQSA-N
MW302.42 g/mol
LogP4.35
Rot. Bonds3

About (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]

(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine] (PubChem CID 102430453) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine].

Molecular Properties

Compound Name(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]
PubChem CID102430453
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]
SMILESC=C[C@H]1CN(Cc2ccccc2)CC[C@@]12C=Nc1ccccc12
InChIInChI=1S/C21H22N2/c1-2-18-15-23(14-17-8-4-3-5-9-17)13-12-21(18)16-22-20-11-7-6-10-19(20)21/h2-11,16,18H,1,12-15H2/t18-,21+/m0/s1
InChIKeyGUJBHEIKXYLMAW-GHTZIAJQSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-benzyl-3'-ethenylspiro[naphthalene-1,4'-piperidine]-2-one
CID 132937395
6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
(4S,5R)-6-benzyl-4-ethenyl-6-azaspiro[4.5]decane
CID 102412352
4-(aminomethyl)-1-benzyl-N-prop-2-enylpiperidin-4-amine
CID 65382815
1'-benzyl-3'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 59305171
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287
(2R)-4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577108
4-benzyl-2-phenyl-1-prop-2-enylpiperazine;dihydrochloride
CID 68577111
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
(4S)-6-benzyl-3-methylidene-6-azaspiro[3.4]octane
CID 145071819

Frequently Asked Questions

What is the IUPAC name of (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]?
The IUPAC name of (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine] (CID 102430453) is (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine].
What is the SMILES notation for (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]?
The canonical SMILES for (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine] is C=C[C@H]1CN(Cc2ccccc2)CC[C@@]12C=Nc1ccccc12.
What is the InChIKey of (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]?
The InChIKey is GUJBHEIKXYLMAW-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-18-15-23(14-17-8-4-3-5-9-17)13-12-21(18)16-22-20-11-7-6-10-19(20)21/h2-11,16,18H,1,12-15H2/t18-,21+/m0/s1.
What are the key properties of (3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine]?
(3R,3'R)-1'-benzyl-3'-ethenylspiro[indole-3,4'-piperidine] has a molecular weight of 302.42 g/mol, XLogP of 4.35, 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'-ethenylspiro[indole-3,4'-piperidine] is sourced from PubChem (CID 102430453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).