(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane

C19H28N2O — CID 124814119

IUPAC(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(CO[C@@H]2[C@H]3CC[C@H]2N(CC2CCCCC2)C3)nc1
InChIInChI=1S/C19H28N2O/c1-2-6-15(7-3-1)12-21-13-16-9-10-18(21)19(16)22-14-17-8-4-5-11-20-17/h4-5,8,11,15-16,18-19H,1-3,6-7,9-10,12-14H2/t16-,18+,19+/m0/s1
InChIKeyFLIQGYJRFSHRFU-QXAKKESOSA-N
MW300.45 g/mol
LogP3.64
Rot. Bonds5

About (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane

(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane (PubChem CID 124814119) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
PubChem CID124814119
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
SMILESc1ccc(CO[C@@H]2[C@H]3CC[C@H]2N(CC2CCCCC2)C3)nc1
InChIInChI=1S/C19H28N2O/c1-2-6-15(7-3-1)12-21-13-16-9-10-18(21)19(16)22-14-17-8-4-5-11-20-17/h4-5,8,11,15-16,18-19H,1-3,6-7,9-10,12-14H2/t16-,18+,19+/m0/s1
InChIKeyFLIQGYJRFSHRFU-QXAKKESOSA-N
XLogP3.64
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(pyridin-2-ylmethoxy)-2-(thiophen-3-ylmethyl)-2-azabicyclo[2.2.1]heptane
CID 134071686
2-(5-methylpyrimidin-2-yl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane
CID 131647349
[(1S,4R,7S)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 98780346
2-(cyclohexylmethyl)pyridine
CID 14762660
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
1-[(4aR,7aS)-4-(cyclopentylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-pyridin-2-ylethanone
CID 97402896
(6S)-1-cyclohexyl-4-(3-methylbut-2-enyl)-6-(pyridin-2-ylmethoxy)-1,4-diazepan-2-one
CID 26227927
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42101463
1-cyclopentyl-N-methyl-5-pyridin-2-ylpentan-3-amine
CID 114193168
2-[(3-ethylcyclobutyl)oxymethyl]pyridine
CID 170582773
(3aS,6aS)-1-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97386430
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane (CID 124814119) is (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane is c1ccc(CO[C@@H]2[C@H]3CC[C@H]2N(CC2CCCCC2)C3)nc1.
What is the InChIKey of (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
The InChIKey is FLIQGYJRFSHRFU-QXAKKESOSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-6-15(7-3-1)12-21-13-16-9-10-18(21)19(16)22-14-17-8-4-5-11-20-17/h4-5,8,11,15-16,18-19H,1-3,6-7,9-10,12-14H2/t16-,18+,19+/m0/s1.
What are the key properties of (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane?
(1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane has a molecular weight of 300.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R)-2-(cyclohexylmethyl)-7-(pyridin-2-ylmethoxy)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 124814119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).