(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol

C15H22N2O2 — CID 72931915

IUPAC(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(c1ccncc1)CC2
InChIInChI=1S/C15H22N2O2/c1-14(19-2)11-13(18)15(14)5-9-17(10-6-15)12-3-7-16-8-4-12/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyYQGIEYZHVCBLPH-KGLIPLIRSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds2

About (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol

(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol (PubChem CID 72931915) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol
PubChem CID72931915
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol
SMILESCO[C@@]1(C)C[C@@H](O)C12CCN(c1ccncc1)CC2
InChIInChI=1S/C15H22N2O2/c1-14(19-2)11-13(18)15(14)5-9-17(10-6-15)12-3-7-16-8-4-12/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3/t13-,14+/m1/s1
InChIKeyYQGIEYZHVCBLPH-KGLIPLIRSA-N
XLogP1.84
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol (CID 72931915) is (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol is CO[C@@]1(C)C[C@@H](O)C12CCN(c1ccncc1)CC2.
What is the InChIKey of (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is YQGIEYZHVCBLPH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(19-2)11-13(18)15(14)5-9-17(10-6-15)12-3-7-16-8-4-12/h3-4,7-8,13,18H,5-6,9-11H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol?
(1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-methoxy-3-methyl-7-pyridin-4-yl-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 72931915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).