5-(3-methoxy-3-methylbutyl)-2-methylpiperidine

C12H25NO — CID 106777707

IUPAC5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
SMILESCOC(C)(C)CCC1CCC(C)NC1
InChIInChI=1S/C12H25NO/c1-10-5-6-11(9-13-10)7-8-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyXKYIUVOWOORBDT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine

5-(3-methoxy-3-methylbutyl)-2-methylpiperidine (PubChem CID 106777707) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine.

Molecular Properties

Compound Name5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
PubChem CID106777707
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
SMILESCOC(C)(C)CCC1CCC(C)NC1
InChIInChI=1S/C12H25NO/c1-10-5-6-11(9-13-10)7-8-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3
InChIKeyXKYIUVOWOORBDT-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
CID 172701028
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
N-ethyl-3-(3-methoxy-3-methylbutyl)cyclopentan-1-amine
CID 103037532
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
3-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037519
4-ethyl-2-(3-methoxy-3-methylbutyl)piperidine
CID 103037375
1-bromo-3-(3-methoxy-3-methylbutyl)cycloheptane
CID 103037607

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine?
The IUPAC name of 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine (CID 106777707) is 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine.
What is the SMILES notation for 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine?
The canonical SMILES for 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine is COC(C)(C)CCC1CCC(C)NC1.
What is the InChIKey of 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine?
The InChIKey is XKYIUVOWOORBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-5-6-11(9-13-10)7-8-12(2,3)14-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine?
5-(3-methoxy-3-methylbutyl)-2-methylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylbutyl)-2-methylpiperidine is sourced from PubChem (CID 106777707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).