6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane

C25H30Cl2N2 — CID 51347217

IUPAC6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
SMILESClc1ccccc1C1CC2(N3CCCCC3)CNCC1C(c1ccccc1Cl)C2
InChIInChI=1S/C25H30Cl2N2/c26-23-10-4-2-8-18(23)20-14-25(29-12-6-1-7-13-29)15-21(22(20)16-28-17-25)19-9-3-5-11-24(19)27/h2-5,8-11,20-22,28H,1,6-7,12-17H2
InChIKeyUILUNTSMJUHAGS-UHFFFAOYSA-N
MW429.44 g/mol
LogP6.10
Rot. Bonds3

About 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane

6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane (PubChem CID 51347217) has the molecular formula C25H30Cl2N2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
PubChem CID51347217
Molecular FormulaC25H30Cl2N2
Molecular Weight429.44 g/mol
Exact Mass428.18
IUPAC Name6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane
SMILESClc1ccccc1C1CC2(N3CCCCC3)CNCC1C(c1ccccc1Cl)C2
InChIInChI=1S/C25H30Cl2N2/c26-23-10-4-2-8-18(23)20-14-25(29-12-6-1-7-13-29)15-21(22(20)16-28-17-25)19-9-3-5-11-24(19)27/h2-5,8-11,20-22,28H,1,6-7,12-17H2
InChIKeyUILUNTSMJUHAGS-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

Analyze 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane with MolForge

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Related Compounds

(7S,8S)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine
CID 24857844
7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine
CID 44418508
7,8-Bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 44418553
(7S,8S)-7,8-bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane
CID 44585577
2-(2-aminoethyl)-7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine
CID 44585620
2-[7,8-Bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonan-2-yl]ethanamine
CID 44585645
7,8-bis(4-chlorophenyl)-N,N-dimethyl-2-azabicyclo[3.2.2]nonan-5-amine;hydrochloride
CID 118728463
7,8-Bis(4-chlorophenyl)-5-piperidin-1-yl-2-azabicyclo[3.2.2]nonane;hydrochloride
CID 118728465
N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
CID 118728467
6,9-Diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
CID 118728469
6,9-Diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
CID 118728470
6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
CID 118728471

Frequently Asked Questions

What is the IUPAC name of 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
The IUPAC name of 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane (CID 51347217) is 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane is Clc1ccccc1C1CC2(N3CCCCC3)CNCC1C(c1ccccc1Cl)C2.
What is the InChIKey of 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
The InChIKey is UILUNTSMJUHAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2/c26-23-10-4-2-8-18(23)20-14-25(29-12-6-1-7-13-29)15-21(22(20)16-28-17-25)19-9-3-5-11-24(19)27/h2-5,8-11,20-22,28H,1,6-7,12-17H2.
What are the key properties of 6,9-bis(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane?
6,9-bis(2-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(2-chlorophenyl)-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 51347217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).