4-methoxy-4-methylpiperidin-1-ium

C7H16NO+ — CID 51894798

IUPAC4-methoxy-4-methylpiperidin-1-ium
SMILESCOC1(C)CC[NH2+]CC1
InChIInChI=1S/C7H15NO/c1-7(9-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3/p+1
InChIKeyNHVNKCKANZAOOC-UHFFFAOYSA-O
MW130.21 g/mol
LogP-0.25
Rot. Bonds1

About 4-methoxy-4-methylpiperidin-1-ium

4-methoxy-4-methylpiperidin-1-ium (PubChem CID 51894798) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methoxy-4-methylpiperidin-1-ium.

Molecular Properties

Compound Name4-methoxy-4-methylpiperidin-1-ium
PubChem CID51894798
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name4-methoxy-4-methylpiperidin-1-ium
SMILESCOC1(C)CC[NH2+]CC1
InChIInChI=1S/C7H15NO/c1-7(9-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3/p+1
InChIKeyNHVNKCKANZAOOC-UHFFFAOYSA-O
XLogP-0.25
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Methylpiperidin-4-ol
CID 15649174
4-Methoxy-4-methylpiperidine hydrochloride
CID 20373709
4-Ethylpiperidin-4-ol hydrochloride
CID 51358292
4-Methoxy-4-(trifluoromethyl)piperidine hydrochloride
CID 121553514
4-(Difluoromethyl)-4-methoxypiperidine hydrochloride
CID 165949883
4-Methoxy-4-methylpiperidine
CID 20373710
4-Ethylpiperidin-4-ol
CID 22061347
4-[(Tert-butoxy)methyl]piperidine
CID 54056421
4-Methoxy-4-(trifluoromethyl)piperidine
CID 54595514
4-(2-Methoxypropan-2-yl)piperidine
CID 59352871
3-Fluoro-4-methoxy-4-methylpiperidine
CID 90176850
(3R,4S)-3-fluoro-4-methoxy-4-methylpiperidine
CID 90183687

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methylpiperidin-1-ium?
The IUPAC name of 4-methoxy-4-methylpiperidin-1-ium (CID 51894798) is 4-methoxy-4-methylpiperidin-1-ium.
What is the SMILES notation for 4-methoxy-4-methylpiperidin-1-ium?
The canonical SMILES for 4-methoxy-4-methylpiperidin-1-ium is COC1(C)CC[NH2+]CC1.
What is the InChIKey of 4-methoxy-4-methylpiperidin-1-ium?
The InChIKey is NHVNKCKANZAOOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO/c1-7(9-2)3-5-8-6-4-7/h8H,3-6H2,1-2H3/p+1.
What are the key properties of 4-methoxy-4-methylpiperidin-1-ium?
4-methoxy-4-methylpiperidin-1-ium has a molecular weight of 130.21 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methylpiperidin-1-ium is sourced from PubChem (CID 51894798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).