4-(3-methoxy-3-methylbutyl)-3-methylpiperidine

C12H25NO — CID 106777691

IUPAC4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
SMILESCOC(C)(C)CCC1CCNCC1C
InChIInChI=1S/C12H25NO/c1-10-9-13-8-6-11(10)5-7-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyLVXRGIXCNSNALM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds4

About 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine

4-(3-methoxy-3-methylbutyl)-3-methylpiperidine (PubChem CID 106777691) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
PubChem CID106777691
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
SMILESCOC(C)(C)CCC1CCNCC1C
InChIInChI=1S/C12H25NO/c1-10-9-13-8-6-11(10)5-7-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyLVXRGIXCNSNALM-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
CID 103019709
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
CID 106777707
3-methyl-4-(4-methylpentyl)piperidine
CID 106781094
(3-methylpiperidin-4-yl)methyl formate
CID 146493499
1-[2-(3-methoxy-3-methylbutyl)cyclobutyl]-N-methylmethanamine
CID 103019848
ethane;2-methoxy-2-methylpropane;3-methylpyrrolidine;hydrate
CID 145463326
3-(3-methoxy-3-methylbutyl)piperidin-4-one
CID 103034534
2-(3-methoxy-3-methylbutyl)cyclohexan-1-ol
CID 103036460
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine?
The IUPAC name of 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine (CID 106777691) is 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine.
What is the SMILES notation for 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine?
The canonical SMILES for 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine is COC(C)(C)CCC1CCNCC1C.
What is the InChIKey of 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine?
The InChIKey is LVXRGIXCNSNALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-9-13-8-6-11(10)5-7-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine?
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutyl)-3-methylpiperidine is sourced from PubChem (CID 106777691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).