7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride

C25H31Cl3N2 — CID 118728465

IUPAC7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.Clc1ccc(C2CC3(N4CCCCC4)CCNC2C(c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C25H30Cl2N2.ClH/c26-20-8-4-18(5-9-20)22-16-25(29-14-2-1-3-15-29)12-13-28-24(22)23(17-25)19-6-10-21(27)11-7-19;/h4-11,22-24,28H,1-3,12-17H2;1H
InChIKeyNFAWLHYWYWCIQO-UHFFFAOYSA-N
MW465.90 g/mol
LogP6.66
Rot. Bonds3

About 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride

7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride (PubChem CID 118728465) has the molecular formula C25H31Cl3N2 and a molecular weight of 465.90 g/mol. Its IUPAC name is 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride.

Molecular Properties

Compound Name7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
PubChem CID118728465
Molecular FormulaC25H31Cl3N2
Molecular Weight465.90 g/mol
Exact Mass464.16
IUPAC Name7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.Clc1ccc(C2CC3(N4CCCCC4)CCNC2C(c2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C25H30Cl2N2.ClH/c26-20-8-4-18(5-9-20)22-16-25(29-14-2-1-3-15-29)12-13-28-24(22)23(17-25)19-6-10-21(27)11-7-19;/h4-11,22-24,28H,1-3,12-17H2;1H
InChIKeyNFAWLHYWYWCIQO-UHFFFAOYSA-N
XLogP6.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.90
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
The IUPAC name of 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride (CID 118728465) is 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride.
What is the SMILES notation for 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
The canonical SMILES for 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride is Cl.Clc1ccc(C2CC3(N4CCCCC4)CCNC2C(c2ccc(Cl)cc2)C3)cc1.
What is the InChIKey of 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
The InChIKey is NFAWLHYWYWCIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2.ClH/c26-20-8-4-18(5-9-20)22-16-25(29-14-2-1-3-15-29)12-13-28-24(22)23(17-25)19-6-10-21(27)11-7-19;/h4-11,22-24,28H,1-3,12-17H2;1H.
What are the key properties of 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride?
7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride has a molecular weight of 465.90 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride is sourced from PubChem (CID 118728465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).