(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol

C12H17NO2 — CID 116710441

IUPAC(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cncc(C)c2)CCC1
InChIInChI=1S/C12H17NO2/c1-9-6-10(8-13-7-9)11(14)12(15-2)4-3-5-12/h6-8,11,14H,3-5H2,1-2H3
InChIKeyJNQWRXYVSHKQPI-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.99
Rot. Bonds3

About (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol

(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 116710441) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
PubChem CID116710441
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
SMILESCOC1(C(O)c2cncc(C)c2)CCC1
InChIInChI=1S/C12H17NO2/c1-9-6-10(8-13-7-9)11(14)12(15-2)4-3-5-12/h6-8,11,14H,3-5H2,1-2H3
InChIKeyJNQWRXYVSHKQPI-UHFFFAOYSA-N
XLogP1.99
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methanol
CID 104610441
(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methanol
CID 116753621
(5-fluoro-3-pyridinyl)-(1-methoxycyclopentyl)methanol
CID 104610410
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
(1-methoxycyclohexyl)-(5-methylthiophen-3-yl)methanol
CID 116753501
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
(1-methoxycycloheptyl)-quinolin-3-ylmethanol
CID 116755913
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol (CID 116710441) is (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol is COC1(C(O)c2cncc(C)c2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is JNQWRXYVSHKQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-6-10(8-13-7-9)11(14)12(15-2)4-3-5-12/h6-8,11,14H,3-5H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol?
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 207.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 116710441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).