(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

C16H23NO2 — CID 106756295

IUPAC(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCCC3)C2)ccn1
InChIInChI=1S/C16H23NO2/c1-12-10-13(4-8-17-12)15(18)14-5-9-19-16(11-14)6-2-3-7-16/h4,8,10,14-15,18H,2-3,5-7,9,11H2,1H3
InChIKeyXHVQITYRQLBXPY-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.16
Rot. Bonds2

About (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol

(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (PubChem CID 106756295) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
PubChem CID106756295
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
SMILESCc1cc(C(O)C2CCOC3(CCCC3)C2)ccn1
InChIInChI=1S/C16H23NO2/c1-12-10-13(4-8-17-12)15(18)14-5-9-19-16(11-14)6-2-3-7-16/h4,8,10,14-15,18H,2-3,5-7,9,11H2,1H3
InChIKeyXHVQITYRQLBXPY-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 (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol with MolForge

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Related Compounds

N-methyl-1-(2-methyl-4-pyridinyl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 106755656
(3,4-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79912699
(2-methyl-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 106755669
(3-bromo-4-methylphenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 115823077
(3-aminophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 106695822
(3,4-dichlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79900057
(4-bromo-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 81447084
(4-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79912706
(3-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79899476
[3-(dimethylamino)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 105116176
(5-methyl-2-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 81319068
(6-methoxy-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 114938024

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The IUPAC name of (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol (CID 106756295) is (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol.
What is the SMILES notation for (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The canonical SMILES for (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is Cc1cc(C(O)C2CCOC3(CCCC3)C2)ccn1.
What is the InChIKey of (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
The InChIKey is XHVQITYRQLBXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-10-13(4-8-17-12)15(18)14-5-9-19-16(11-14)6-2-3-7-16/h4,8,10,14-15,18H,2-3,5-7,9,11H2,1H3.
What are the key properties of (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol?
(2-methyl-4-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 (2-methyl-4-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methanol is sourced from PubChem (CID 106756295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).