8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol

C25H24Cl2N2O — CID 44574538

IUPAC8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
InChIKeyIWADOPWWRIXIBC-UHFFFAOYSA-N
MW439.39 g/mol
LogP5.99
Rot. Bonds4

About 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol

8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 44574538) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID44574538
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC Name8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2
InChIKeyIWADOPWWRIXIBC-UHFFFAOYSA-N
XLogP5.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 44574538) is 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol is OC1(c2cccnc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IWADOPWWRIXIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c26-22-9-3-1-7-20(22)24(21-8-2-4-10-23(21)27)29-18-11-12-19(29)15-25(30,14-18)17-6-5-13-28-16-17/h1-10,13,16,18-19,24,30H,11-12,14-15H2.
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol?
8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 439.39 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 44574538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).