6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride

C25H33ClN2 — CID 118728470

IUPAC6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.c1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccccc2)C3)cc1
InChIInChI=1S/C25H32N2.ClH/c1-4-10-20(11-5-1)22-16-25(27-14-8-3-9-15-27)17-23(24(22)18-26-19-25)21-12-6-2-7-13-21;/h1-2,4-7,10-13,22-24,26H,3,8-9,14-19H2;1H
InChIKeySXHZVDNNKGSVAP-UHFFFAOYSA-N
MW397.01 g/mol
LogP5.21
Rot. Bonds3

About 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride

6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride (PubChem CID 118728470) has the molecular formula C25H33ClN2 and a molecular weight of 397.01 g/mol. Its IUPAC name is 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride.

Molecular Properties

Compound Name6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
PubChem CID118728470
Molecular FormulaC25H33ClN2
Molecular Weight397.01 g/mol
Exact Mass396.23
IUPAC Name6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride
SMILESCl.c1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccccc2)C3)cc1
InChIInChI=1S/C25H32N2.ClH/c1-4-10-20(11-5-1)22-16-25(27-14-8-3-9-15-27)17-23(24(22)18-26-19-25)21-12-6-2-7-13-21;/h1-2,4-7,10-13,22-24,26H,3,8-9,14-19H2;1H
InChIKeySXHZVDNNKGSVAP-UHFFFAOYSA-N
XLogP5.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.01
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
The IUPAC name of 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride (CID 118728470) is 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride.
What is the SMILES notation for 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
The canonical SMILES for 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride is Cl.c1ccc(C2CC3(N4CCCCC4)CNCC2C(c2ccccc2)C3)cc1.
What is the InChIKey of 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
The InChIKey is SXHZVDNNKGSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2.ClH/c1-4-10-20(11-5-1)22-16-25(27-14-8-3-9-15-27)17-23(24(22)18-26-19-25)21-12-6-2-7-13-21;/h1-2,4-7,10-13,22-24,26H,3,8-9,14-19H2;1H.
What are the key properties of 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride?
6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride has a molecular weight of 397.01 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-diphenyl-1-piperidin-1-yl-3-azabicyclo[3.2.2]nonane;hydrochloride is sourced from PubChem (CID 118728470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).