(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H23NO2 — CID 81319068

IUPAC(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1ccc(C(O)C2CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C16H23NO2/c1-12-4-5-14(17-11-12)15(18)13-6-9-19-16(10-13)7-2-3-8-16/h4-5,11,13,15,18H,2-3,6-10H2,1H3
InChIKeyNWNVGKTUIUSLQM-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.16
Rot. Bonds2

About (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 81319068) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID81319068
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1ccc(C(O)C2CCOC3(CCCC3)C2)nc1
InChIInChI=1S/C16H23NO2/c1-12-4-5-14(17-11-12)15(18)13-6-9-19-16(10-13)7-2-3-8-16/h4-5,11,13,15,18H,2-3,6-10H2,1H3
InChIKeyNWNVGKTUIUSLQM-UHFFFAOYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol with MolForge

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Related Compounds

(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024
(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106756295
(6-methoxy-2-pyridinyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 103348185
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(4-methyl-1,3-thiazol-5-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 105115940
(3-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 104800788
(4-bromo-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 115823158
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
1-oxaspiro[5.5]undecan-4-yl(1,3-thiazol-2-yl)methanol
CID 113373079
(3-chloro-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 103443445
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 81319068) is (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is Cc1ccc(C(O)C2CCOC3(CCCC3)C2)nc1.
What is the InChIKey of (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is NWNVGKTUIUSLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-5-14(17-11-12)15(18)13-6-9-19-16(10-13)7-2-3-8-16/h4-5,11,13,15,18H,2-3,6-10H2,1H3.
What are the key properties of (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol has a molecular weight of 261.36 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 81319068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).