(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane

C16H22N2O — CID 121495039

IUPAC(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCOc1cccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)c1
InChIInChI=1S/C16H22N2O/c1-19-12-4-2-3-11(7-12)10-18-15-5-6-16(18)14-9-17-8-13(14)15/h2-4,7,13-17H,5-6,8-10H2,1H3/t13-,14+,15-,16+
InChIKeyWWUWAJZAOMXFGT-GEEKYZPCSA-N
MW258.36 g/mol
LogP1.88
Rot. Bonds3

About (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane

(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 121495039) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID121495039
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCOc1cccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)c1
InChIInChI=1S/C16H22N2O/c1-19-12-4-2-3-11(7-12)10-18-15-5-6-16(18)14-9-17-8-13(14)15/h2-4,7,13-17H,5-6,8-10H2,1H3/t13-,14+,15-,16+
InChIKeyWWUWAJZAOMXFGT-GEEKYZPCSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

3-[(3-methoxyphenyl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane
CID 67380464
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
1-[(3-methoxyphenyl)methyl]-3-methyl-1,5-diazocane
CID 54980333
1-[(3-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 63863142
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
2-benzyl-5-[(3-methoxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155875929
2,8,9-tris[(3-methoxyphenyl)methyl]-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
CID 102225818
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
9-[(3-methoxyphenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 139648283
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane (CID 121495039) is (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane is COc1cccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)c1.
What is the InChIKey of (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is WWUWAJZAOMXFGT-GEEKYZPCSA-N. The full InChI is InChI=1S/C16H22N2O/c1-19-12-4-2-3-11(7-12)10-18-15-5-6-16(18)14-9-17-8-13(14)15/h2-4,7,13-17H,5-6,8-10H2,1H3/t13-,14+,15-,16+.
What are the key properties of (1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
(1S,2R,6S,7R)-10-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 258.36 g/mol, XLogP of 1.88, 3 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-[(3-methoxyphenyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 121495039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).