3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]

C17H23ClN2 — CID 82856484

IUPAC3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
SMILESClc1ccccc1C1CNCCC12CCN1CCCC12
InChIInChI=1S/C17H23ClN2/c18-15-5-2-1-4-13(15)14-12-19-9-7-17(14)8-11-20-10-3-6-16(17)20/h1-2,4-5,14,16,19H,3,6-12H2
InChIKeyOXJMRRQCZNFTFE-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.27
Rot. Bonds1

About 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]

3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] (PubChem CID 82856484) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine].

Molecular Properties

Compound Name3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
PubChem CID82856484
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]
SMILESClc1ccccc1C1CNCCC12CCN1CCCC12
InChIInChI=1S/C17H23ClN2/c18-15-5-2-1-4-13(15)14-12-19-9-7-17(14)8-11-20-10-3-6-16(17)20/h1-2,4-5,14,16,19H,3,6-12H2
InChIKeyOXJMRRQCZNFTFE-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
The IUPAC name of 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] (CID 82856484) is 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine].
What is the SMILES notation for 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
The canonical SMILES for 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] is Clc1ccccc1C1CNCCC12CCN1CCCC12.
What is the InChIKey of 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
The InChIKey is OXJMRRQCZNFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c18-15-5-2-1-4-13(15)14-12-19-9-7-17(14)8-11-20-10-3-6-16(17)20/h1-2,4-5,14,16,19H,3,6-12H2.
What are the key properties of 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine]?
3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] has a molecular weight of 290.84 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-chlorophenyl)spiro[1,2,3,5,6,8-hexahydropyrrolizine-7,4'-piperidine] is sourced from PubChem (CID 82856484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).