4-methoxy-3,3-dimethylpiperidine;hydrochloride

C8H18ClNO — CID 115015546

IUPAC4-methoxy-3,3-dimethylpiperidine;hydrochloride
SMILESCOC1CCNCC1(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2)6-9-5-4-7(8)10-3;/h7,9H,4-6H2,1-3H3;1H
InChIKeyJKLCZYXBGWNKMV-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.44
Rot. Bonds1

About 4-methoxy-3,3-dimethylpiperidine;hydrochloride

4-methoxy-3,3-dimethylpiperidine;hydrochloride (PubChem CID 115015546) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-3,3-dimethylpiperidine;hydrochloride
PubChem CID115015546
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name4-methoxy-3,3-dimethylpiperidine;hydrochloride
SMILESCOC1CCNCC1(C)C.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2)6-9-5-4-7(8)10-3;/h7,9H,4-6H2,1-3H3;1H
InChIKeyJKLCZYXBGWNKMV-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 4-methoxy-3,3-dimethylpiperidine;hydrochloride (CID 115015546) is 4-methoxy-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 4-methoxy-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 4-methoxy-3,3-dimethylpiperidine;hydrochloride is COC1CCNCC1(C)C.Cl.
What is the InChIKey of 4-methoxy-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is JKLCZYXBGWNKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2)6-9-5-4-7(8)10-3;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of 4-methoxy-3,3-dimethylpiperidine;hydrochloride?
4-methoxy-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 115015546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).