3-cycloheptyloxypyridine

C12H17NO — CID 112558615

IUPAC3-cycloheptyloxypyridine
SMILESc1cncc(OC2CCCCCC2)c1
InChIInChI=1S/C12H17NO/c1-2-4-7-11(6-3-1)14-12-8-5-9-13-10-12/h5,8-11H,1-4,6-7H2
InChIKeyZIIVQPJDTYTMLK-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.18
Rot. Bonds2

About 3-cycloheptyloxypyridine

3-cycloheptyloxypyridine (PubChem CID 112558615) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-cycloheptyloxypyridine.

Molecular Properties

Compound Name3-cycloheptyloxypyridine
PubChem CID112558615
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-cycloheptyloxypyridine
SMILESc1cncc(OC2CCCCCC2)c1
InChIInChI=1S/C12H17NO/c1-2-4-7-11(6-3-1)14-12-8-5-9-13-10-12/h5,8-11H,1-4,6-7H2
InChIKeyZIIVQPJDTYTMLK-UHFFFAOYSA-N
XLogP3.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cycloheptyloxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-piperidin-4-yloxypyridine;dihydrochloride
CID 22989727
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
3-pyridin-3-yloxycyclobutan-1-one
CID 66368093
3-(3-methoxycyclopentyl)oxypyridine
CID 175909787
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433
methyl-(3-pyridin-3-yloxypiperidin-1-yl)borinic acid
CID 18713305
5-cyclohexyloxypyridin-3-amine
CID 104536072
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
pyridin-3-yl cyclohexanecarboxylate
CID 151250371
2-pyridin-3-yloxyspiro[3.3]heptan-6-amine
CID 169317936

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyloxypyridine?
The IUPAC name of 3-cycloheptyloxypyridine (CID 112558615) is 3-cycloheptyloxypyridine.
What is the SMILES notation for 3-cycloheptyloxypyridine?
The canonical SMILES for 3-cycloheptyloxypyridine is c1cncc(OC2CCCCCC2)c1.
What is the InChIKey of 3-cycloheptyloxypyridine?
The InChIKey is ZIIVQPJDTYTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-7-11(6-3-1)14-12-8-5-9-13-10-12/h5,8-11H,1-4,6-7H2.
What are the key properties of 3-cycloheptyloxypyridine?
3-cycloheptyloxypyridine has a molecular weight of 191.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyloxypyridine is sourced from PubChem (CID 112558615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).