(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane

C21H26N2O — CID 56897536

IUPAC(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(C2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C)n2)cc1
InChIInChI=1S/C21H26N2O/c1-15-4-3-5-18(22-15)14-23-19-8-9-20(23)13-17(12-19)16-6-10-21(24-2)11-7-16/h3-7,10-11,17,19-20H,8-9,12-14H2,1-2H3/t17?,19-,20+
InChIKeyFOQHQQLHZJQAKG-CTXDPNEZSA-N
MW322.45 g/mol
LogP4.31
Rot. Bonds4

About (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane

(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 56897536) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID56897536
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane
SMILESCOc1ccc(C2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C)n2)cc1
InChIInChI=1S/C21H26N2O/c1-15-4-3-5-18(22-15)14-23-19-8-9-20(23)13-17(12-19)16-6-10-21(24-2)11-7-16/h3-7,10-11,17,19-20H,8-9,12-14H2,1-2H3/t17?,19-,20+
InChIKeyFOQHQQLHZJQAKG-CTXDPNEZSA-N
XLogP4.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840
3-[(6-methyl-2-pyridinyl)methyl]-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 175650281
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
(3aS,6aS)-1-[(4-methoxyphenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97377137
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
(1S,9S)-5-methyl-12-[(6-methyl-2-pyridinyl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 124796303
7-methoxy-2-[(6-methyl-2-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
CID 131661375
8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79234642
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[(1S,5R)-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 70779388

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane (CID 56897536) is (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane is COc1ccc(C2C[C@H]3CC[C@@H](C2)N3Cc2cccc(C)n2)cc1.
What is the InChIKey of (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is FOQHQQLHZJQAKG-CTXDPNEZSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-4-3-5-18(22-15)14-23-19-8-9-20(23)13-17(12-19)16-6-10-21(24-2)11-7-16/h3-7,10-11,17,19-20H,8-9,12-14H2,1-2H3/t17?,19-,20+.
What are the key properties of (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane?
(1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 322.45 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(4-methoxyphenyl)-8-[(6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 56897536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).