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

C15H21N3O — CID 164818164

IUPAC(1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCOc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1
InChIInChI=1S/C15H21N3O/c1-19-15-5-2-10(6-17-15)9-18-13-3-4-14(18)12-8-16-7-11(12)13/h2,5-6,11-14,16H,3-4,7-9H2,1H3/t11-,12+,13-,14+
InChIKeyMWWMPVNXXKQHTB-KPWCQOOUSA-N
MW259.35 g/mol
LogP1.27
Rot. Bonds3

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

(1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 164818164) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID164818164
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCOc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1
InChIInChI=1S/C15H21N3O/c1-19-15-5-2-10(6-17-15)9-18-13-3-4-14(18)12-8-16-7-11(12)13/h2,5-6,11-14,16H,3-4,7-9H2,1H3/t11-,12+,13-,14+
InChIKeyMWWMPVNXXKQHTB-KPWCQOOUSA-N
XLogP1.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane (CID 164818164) is (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane is COc1ccc(CN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)cn1.
What is the InChIKey of (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is MWWMPVNXXKQHTB-KPWCQOOUSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-15-5-2-10(6-17-15)9-18-13-3-4-14(18)12-8-16-7-11(12)13/h2,5-6,11-14,16H,3-4,7-9H2,1H3/t11-,12+,13-,14+.
What are the key properties of (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
(1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 259.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-10-[(6-methoxy-3-pyridinyl)methyl]-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 164818164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).