6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane

C25H30Cl2N2 — CID 51347067

IUPAC6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
SMILESClc1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C25H30Cl2N2/c26-20-8-4-18(5-9-20)22-14-25(29-12-2-1-3-13-29)15-23(24(22)16-28-17-25)19-6-10-21(27)11-7-19/h4-11,22-24,28H,1-3,12-17H2
InChIKeyDRYGYOVPQWWUIV-UHFFFAOYSA-N
MW429.44 g/mol
LogP6.10
Rot. Bonds3

About 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane

6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane (PubChem CID 51347067) has the molecular formula C25H30Cl2N2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
PubChem CID51347067
Molecular FormulaC25H30Cl2N2
Molecular Weight429.44 g/mol
Exact Mass428.18
IUPAC Name6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
SMILESClc1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C25H30Cl2N2/c26-20-8-4-18(5-9-20)22-14-25(29-12-2-1-3-13-29)15-23(24(22)16-28-17-25)19-6-10-21(27)11-7-19/h4-11,22-24,28H,1-3,12-17H2
InChIKeyDRYGYOVPQWWUIV-UHFFFAOYSA-N
XLogP6.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
The IUPAC name of 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane (CID 51347067) is 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane is Clc1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccc(Cl)cc2)C3)cc1.
What is the InChIKey of 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
The InChIKey is DRYGYOVPQWWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2/c26-20-8-4-18(5-9-20)22-14-25(29-12-2-1-3-13-29)15-23(24(22)16-28-17-25)19-6-10-21(27)11-7-19/h4-11,22-24,28H,1-3,12-17H2.
What are the key properties of 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane has a molecular weight of 429.44 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-bis(4-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 51347067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).