(1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane

C21H22N2O — CID 131931192

IUPAC(1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESc1ccc2c(c1)oc1c(CN3[C@@H]4CC[C@H]3[C@H]3CNC[C@H]34)cccc12
InChIInChI=1S/C21H22N2O/c1-2-7-20-14(5-1)15-6-3-4-13(21(15)24-20)12-23-18-8-9-19(23)17-11-22-10-16(17)18/h1-7,16-19,22H,8-12H2/t16-,17+,18-,19+
InChIKeyPZTIYCBGTNHPQY-QGFMHUBQSA-N
MW318.42 g/mol
LogP3.77
Rot. Bonds2

About (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane

(1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 131931192) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID131931192
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESc1ccc2c(c1)oc1c(CN3[C@@H]4CC[C@H]3[C@H]3CNC[C@H]34)cccc12
InChIInChI=1S/C21H22N2O/c1-2-7-20-14(5-1)15-6-3-4-13(21(15)24-20)12-23-18-8-9-19(23)17-11-22-10-16(17)18/h1-7,16-19,22H,8-12H2/t16-,17+,18-,19+
InChIKeyPZTIYCBGTNHPQY-QGFMHUBQSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

[(2S)-1-(dibenzofuran-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 15504357
dibenzofuran-4-ylmethanamine
CID 82606963
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
[5-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 131914559
2-[(2R)-1-(dibenzofuran-4-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 124853278
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 26329389
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012
1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 77097788
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
4-(1-deuteriocyclohexyl)dibenzofuran
CID 157279405
4-ethylxanthen-9-one
CID 15075530

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane (CID 131931192) is (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane is c1ccc2c(c1)oc1c(CN3[C@@H]4CC[C@H]3[C@H]3CNC[C@H]34)cccc12.
What is the InChIKey of (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is PZTIYCBGTNHPQY-QGFMHUBQSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-7-20-14(5-1)15-6-3-4-13(21(15)24-20)12-23-18-8-9-19(23)17-11-22-10-16(17)18/h1-7,16-19,22H,8-12H2/t16-,17+,18-,19+.
What are the key properties of (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane?
(1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 318.42 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6S,7R)-10-(dibenzofuran-4-ylmethyl)-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 131931192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).