1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]

C19H21ClN2 — CID 12801589

IUPAC1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccc(Cl)cc1)c1ccccc12
InChIInChI=1S/C19H21ClN2/c1-21-12-10-19(11-13-21)14-22(16-8-6-15(20)7-9-16)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3
InChIKeyWFPWVVWFIAUFCF-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.46
Rot. Bonds1

About 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]

1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] (PubChem CID 12801589) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]
PubChem CID12801589
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccc(Cl)cc1)c1ccccc12
InChIInChI=1S/C19H21ClN2/c1-21-12-10-19(11-13-21)14-22(16-8-6-15(20)7-9-16)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3
InChIKeyWFPWVVWFIAUFCF-UHFFFAOYSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] (CID 12801589) is 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] is CN1CCC2(CC1)CN(c1ccc(Cl)cc1)c1ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is WFPWVVWFIAUFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-21-12-10-19(11-13-21)14-22(16-8-6-15(20)7-9-16)18-5-3-2-4-17(18)19/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]?
1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 312.84 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).