2-oxa-8-azaspiro[3.5]nonane;hydrochloride

C7H14ClNO — CID 90200853

IUPAC2-oxa-8-azaspiro[3.5]nonane;hydrochloride
SMILESC1CNCC2(C1)COC2.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7(4-8-3-1)5-9-6-7;/h8H,1-6H2;1H
InChIKeyJDMNMAMPXIFZFN-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.81
Rot. Bonds

About 2-oxa-8-azaspiro[3.5]nonane;hydrochloride

2-oxa-8-azaspiro[3.5]nonane;hydrochloride (PubChem CID 90200853) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-oxa-8-azaspiro[3.5]nonane;hydrochloride.

Molecular Properties

Compound Name2-oxa-8-azaspiro[3.5]nonane;hydrochloride
PubChem CID90200853
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name2-oxa-8-azaspiro[3.5]nonane;hydrochloride
SMILESC1CNCC2(C1)COC2.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7(4-8-3-1)5-9-6-7;/h8H,1-6H2;1H
InChIKeyJDMNMAMPXIFZFN-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methoxymethyl)piperidine hydrochloride
CID 17178052
3-(Methoxymethyl)piperidine
CID 17178053
2-Oxa-6-azaspiro[3.5]nonane
CID 51341945
6-Oxa-2-azaspiro(3.5)nonane
CID 55279772
2-Oxa-7-azaspiro(3.5)nonane hydrochloride
CID 71742138
6-Oxa-2-azaspiro(3.5)nonane hydrochloride
CID 73554305
9-Fluoro-2-oxa-6-azaspiro[3.5]nonane
CID 177791557
8-Fluoro-2-oxa-6-azaspiro[3.5]nonane
CID 177791559
9,9-Difluoro-2-oxa-6-azaspiro[3.5]nonane
CID 177791584
8,8-Difluoro-2-oxa-6-azaspiro[3.5]nonane
CID 177791597
(R)-3-(Methoxymethyl)piperidine
CID 42427164
(3S)-3-(Methoxymethyl)-piperidine HCl
CID 42427166

Frequently Asked Questions

What is the IUPAC name of 2-oxa-8-azaspiro[3.5]nonane;hydrochloride?
The IUPAC name of 2-oxa-8-azaspiro[3.5]nonane;hydrochloride (CID 90200853) is 2-oxa-8-azaspiro[3.5]nonane;hydrochloride.
What is the SMILES notation for 2-oxa-8-azaspiro[3.5]nonane;hydrochloride?
The canonical SMILES for 2-oxa-8-azaspiro[3.5]nonane;hydrochloride is C1CNCC2(C1)COC2.Cl.
What is the InChIKey of 2-oxa-8-azaspiro[3.5]nonane;hydrochloride?
The InChIKey is JDMNMAMPXIFZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-7(4-8-3-1)5-9-6-7;/h8H,1-6H2;1H.
What are the key properties of 2-oxa-8-azaspiro[3.5]nonane;hydrochloride?
2-oxa-8-azaspiro[3.5]nonane;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-8-azaspiro[3.5]nonane;hydrochloride is sourced from PubChem (CID 90200853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).