(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane

C16H24N2O — CID 77086588

IUPAC(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
SMILESCCc1ccc(CN2C[C@H]3CC[C@@H](C2)C3OC)nc1
InChIInChI=1S/C16H24N2O/c1-3-12-4-7-15(17-8-12)11-18-9-13-5-6-14(10-18)16(13)19-2/h4,7-8,13-14,16H,3,5-6,9-11H2,1-2H3/t13-,14+,16?
InChIKeyDZFGUWKESBJMFN-MZBDJJRSSA-N
MW260.38 g/mol
LogP2.50
Rot. Bonds4

About (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane

(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane (PubChem CID 77086588) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
PubChem CID77086588
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane
SMILESCCc1ccc(CN2C[C@H]3CC[C@@H](C2)C3OC)nc1
InChIInChI=1S/C16H24N2O/c1-3-12-4-7-15(17-8-12)11-18-9-13-5-6-14(10-18)16(13)19-2/h4,7-8,13-14,16H,3,5-6,9-11H2,1-2H3/t13-,14+,16?
InChIKeyDZFGUWKESBJMFN-MZBDJJRSSA-N
XLogP2.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3R,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-fluoropyrrolidin-3-ol
CID 131891791
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
(3S,4R)-1-[(5-ethyl-2-pyridinyl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 134699277
1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 115562170
6-chloro-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]quinoline
CID 74247744
methyl 3-[[(3aS,5R,6R,7aR)-2-[(5-ethyl-2-pyridinyl)methyl]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 175640452

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane (CID 77086588) is (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane is CCc1ccc(CN2C[C@H]3CC[C@@H](C2)C3OC)nc1.
What is the InChIKey of (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane?
The InChIKey is DZFGUWKESBJMFN-MZBDJJRSSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-12-4-7-15(17-8-12)11-18-9-13-5-6-14(10-18)16(13)19-2/h4,7-8,13-14,16H,3,5-6,9-11H2,1-2H3/t13-,14+,16?.
What are the key properties of (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane?
(1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane has a molecular weight of 260.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-[(5-ethyl-2-pyridinyl)methyl]-8-methoxy-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 77086588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).