8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane

C26H26Cl2N2 — CID 56660325

IUPAC8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C2CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1
InChIInChI=1S/C26H26Cl2N2/c1-17-7-6-12-25(29-17)18-15-19-13-14-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-12,18-20,26H,13-16H2,1H3
InChIKeyUJSAHZBPAILQHS-UHFFFAOYSA-N
MW437.41 g/mol
LogP7.20
Rot. Bonds4

About 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane

8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane (PubChem CID 56660325) has the molecular formula C26H26Cl2N2 and a molecular weight of 437.41 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
PubChem CID56660325
Molecular FormulaC26H26Cl2N2
Molecular Weight437.41 g/mol
Exact Mass436.15
IUPAC Name8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C2CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1
InChIInChI=1S/C26H26Cl2N2/c1-17-7-6-12-25(29-17)18-15-19-13-14-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-12,18-20,26H,13-16H2,1H3
InChIKeyUJSAHZBPAILQHS-UHFFFAOYSA-N
XLogP7.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[bis(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 143452892
8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
CID 44574706
N-[[7-[bis(2-chlorophenyl)methyl]-7-azabicyclo[2.2.1]heptan-2-yl]methyl]pyridin-3-amine
CID 163865509
8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947
8-[bis(2-chlorophenyl)methyl]-3-pyrimidin-4-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 22725100
[(1R,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-3-yl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 118718267
8-[bis(2-chlorophenyl)methyl]-3-(5-ethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-1-ol
CID 91393091
N-[[(1S,5R)-8-[bis(2-chlorophenyl)methyl]-3-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 118718282
N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 44562654
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680913
7-[bis(2-chlorophenyl)methyl]-2-pyrimidin-4-yl-7-azabicyclo[2.2.1]heptan-2-ol
CID 142241678
8-[bis(2-chlorophenyl)methyl]-3-(2-methylpyrazol-3-yl)-8-azabicyclo[3.2.1]octan-1-ol
CID 91539220

Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane (CID 56660325) is 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane is Cc1cccc(C2CC3CCC(C2)N3C(c2ccccc2Cl)c2ccccc2Cl)n1.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is UJSAHZBPAILQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N2/c1-17-7-6-12-25(29-17)18-15-19-13-14-20(16-18)30(19)26(21-8-2-4-10-23(21)27)22-9-3-5-11-24(22)28/h2-12,18-20,26H,13-16H2,1H3.
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane?
8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 437.41 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-3-(6-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 56660325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).