2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]

C22H29ClN2 — CID 23453640

IUPAC2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]
SMILESCC1(c2ccc(Cl)cc2)C2CCC(C2)C12CCC(N1CCCCC1)=N2
InChIInChI=1S/C22H29ClN2/c1-21(16-7-9-19(23)10-8-16)17-5-6-18(15-17)22(21)12-11-20(24-22)25-13-3-2-4-14-25/h7-10,17-18H,2-6,11-15H2,1H3
InChIKeyVNWOEYAHKRDFBD-UHFFFAOYSA-N
MW356.94 g/mol
LogP5.44
Rot. Bonds1

About 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]

2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane] (PubChem CID 23453640) has the molecular formula C22H29ClN2 and a molecular weight of 356.94 g/mol. Its IUPAC name is 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]
PubChem CID23453640
Molecular FormulaC22H29ClN2
Molecular Weight356.94 g/mol
Exact Mass356.20
IUPAC Name2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]
SMILESCC1(c2ccc(Cl)cc2)C2CCC(C2)C12CCC(N1CCCCC1)=N2
InChIInChI=1S/C22H29ClN2/c1-21(16-7-9-19(23)10-8-16)17-5-6-18(15-17)22(21)12-11-20(24-22)25-13-3-2-4-14-25/h7-10,17-18H,2-6,11-15H2,1H3
InChIKeyVNWOEYAHKRDFBD-UHFFFAOYSA-N
XLogP5.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.94
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]?
The IUPAC name of 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane] (CID 23453640) is 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane].
What is the SMILES notation for 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]?
The canonical SMILES for 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane] is CC1(c2ccc(Cl)cc2)C2CCC(C2)C12CCC(N1CCCCC1)=N2.
What is the InChIKey of 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]?
The InChIKey is VNWOEYAHKRDFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2/c1-21(16-7-9-19(23)10-8-16)17-5-6-18(15-17)22(21)12-11-20(24-22)25-13-3-2-4-14-25/h7-10,17-18H,2-6,11-15H2,1H3.
What are the key properties of 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane]?
2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane] has a molecular weight of 356.94 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-chlorophenyl)-2'-methyl-5-piperidin-1-ylspiro[3,4-dihydropyrrole-2,3'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 23453640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).