(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol

C15H23NO2 — CID 116756007

IUPAC(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cnccc2C)CCCCCC1
InChIInChI=1S/C15H23NO2/c1-12-7-10-16-11-13(12)14(17)15(18-2)8-5-3-4-6-9-15/h7,10-11,14,17H,3-6,8-9H2,1-2H3
InChIKeyLBTWFQWEKPGGEY-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.16
Rot. Bonds3

About (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol

(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol (PubChem CID 116756007) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
PubChem CID116756007
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cnccc2C)CCCCCC1
InChIInChI=1S/C15H23NO2/c1-12-7-10-16-11-13(12)14(17)15(18-2)8-5-3-4-6-9-15/h7,10-11,14,17H,3-6,8-9H2,1-2H3
InChIKeyLBTWFQWEKPGGEY-UHFFFAOYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-pyridinyl)-(1-methoxycycloheptyl)methanol
CID 116756029
(4-methoxyoxan-4-yl)-(4-methyl-3-pyridinyl)methanol
CID 116754068
(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methanol
CID 116753217
(2,3-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755970
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770
3-[amino-(1-methoxycycloheptyl)methyl]pyridin-4-amine
CID 116769953
(1-ethoxy-4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116755515
(4-amino-3-pyridinyl)-(1-ethoxycycloheptyl)methanol
CID 116756255
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(2-fluorophenyl)-(1-methoxycycloheptyl)methanol
CID 116755788
(1-methoxycyclohexyl)-(2-methoxy-5-methylphenyl)methanol
CID 116753417
(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441

Frequently Asked Questions

What is the IUPAC name of (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol (CID 116756007) is (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol is COC1(C(O)c2cnccc2C)CCCCCC1.
What is the InChIKey of (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol?
The InChIKey is LBTWFQWEKPGGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-7-10-16-11-13(12)14(17)15(18-2)8-5-3-4-6-9-15/h7,10-11,14,17H,3-6,8-9H2,1-2H3.
What are the key properties of (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol?
(1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol has a molecular weight of 249.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycycloheptyl)-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 116756007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).