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

C18H19ClN2 — CID 12801641

IUPAC1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]
SMILESClc1ccccc1N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C18H19ClN2/c19-15-6-2-4-8-17(15)21-13-18(9-11-20-12-10-18)14-5-1-3-7-16(14)21/h1-8,20H,9-13H2
InChIKeyKHKDQLJQYIJGPX-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.11
Rot. Bonds1

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

1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 12801641) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID12801641
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]
SMILESClc1ccccc1N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C18H19ClN2/c19-15-6-2-4-8-17(15)21-13-18(9-11-20-12-10-18)14-5-1-3-7-16(14)21/h1-8,20H,9-13H2
InChIKeyKHKDQLJQYIJGPX-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine] (CID 12801641) is 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine] is Clc1ccccc1N1CC2(CCNCC2)c2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is KHKDQLJQYIJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c19-15-6-2-4-8-17(15)21-13-18(9-11-20-12-10-18)14-5-1-3-7-16(14)21/h1-8,20H,9-13H2.
What are the key properties of 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine]?
1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 298.82 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).