1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride

C13H20ClNO — CID 174386242

IUPAC1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride
SMILESCN1CCCCC1.Cl.c1cc2cc(c1)OC2
InChIInChI=1S/C7H6O.C6H13N.ClH/c1-2-6-4-7(3-1)8-5-6;1-7-5-3-2-4-6-7;/h1-4H,5H2;2-6H2,1H3;1H
InChIKeyNVTJITHGOIHIMI-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.10
Rot. Bonds

About 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride

1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride (PubChem CID 174386242) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride.

Molecular Properties

Compound Name1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride
PubChem CID174386242
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride
SMILESCN1CCCCC1.Cl.c1cc2cc(c1)OC2
InChIInChI=1S/C7H6O.C6H13N.ClH/c1-2-6-4-7(3-1)8-5-6;1-7-5-3-2-4-6-7;/h1-4H,5H2;2-6H2,1H3;1H
InChIKeyNVTJITHGOIHIMI-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride 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

6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;propan-2-ylhydrazine
CID 174415109
11,17,36-trimethyl-4,24,29-trioxa-1,11,14,17,36-pentazapentacyclo[12.12.12.15,9.119,23.130,34]hentetraconta-5,7,9(41),19(40),20,22,30,32,34(39)-nonaene
CID 132513518
benzene;1-methylpiperidine
CID 143889080
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
1,4-diphenylbenzene;1-methylpiperidine
CID 175507613
ethane;1-methylazonane
CID 145157770
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
CID 68772535
CID 68772535
methane;tris(1-methylpiperidine)
CID 162076357
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-1-yl]propanethioic S-acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
CID 22988206

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride?
The IUPAC name of 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride (CID 174386242) is 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride.
What is the SMILES notation for 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride?
The canonical SMILES for 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride is CN1CCCCC1.Cl.c1cc2cc(c1)OC2.
What is the InChIKey of 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride?
The InChIKey is NVTJITHGOIHIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C6H13N.ClH/c1-2-6-4-7(3-1)8-5-6;1-7-5-3-2-4-6-7;/h1-4H,5H2;2-6H2,1H3;1H.
What are the key properties of 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride?
1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene;hydrochloride is sourced from PubChem (CID 174386242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).