4-tert-butyl-5-methoxy-2-methylpiperidine

C11H23NO — CID 176834020

IUPAC4-tert-butyl-5-methoxy-2-methylpiperidine
SMILESCOC1CNC(C)CC1C(C)(C)C
InChIInChI=1S/C11H23NO/c1-8-6-9(11(2,3)4)10(13-5)7-12-8/h8-10,12H,6-7H2,1-5H3
InChIKeyCKDYUSKQNLVOJZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds1

About 4-tert-butyl-5-methoxy-2-methylpiperidine

4-tert-butyl-5-methoxy-2-methylpiperidine (PubChem CID 176834020) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-tert-butyl-5-methoxy-2-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-5-methoxy-2-methylpiperidine
PubChem CID176834020
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-tert-butyl-5-methoxy-2-methylpiperidine
SMILESCOC1CNC(C)CC1C(C)(C)C
InChIInChI=1S/C11H23NO/c1-8-6-9(11(2,3)4)10(13-5)7-12-8/h8-10,12H,6-7H2,1-5H3
InChIKeyCKDYUSKQNLVOJZ-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-4-methoxypiperidine
CID 117236477
(2R)-3-methoxy-2-(2-methylcyclopropyl)azetidine
CID 163873844
(5S)-4-methoxy-2-azabicyclo[3.1.0]hexane
CID 143686087
4-(5-tert-butyl-2-cyclopropylpiperidin-4-yl)-2-chloro-5-methoxypiperidine
CID 176833900
3-tert-butyl-5-chloro-2-methoxypiperidine
CID 176833423
1-tert-butyl-2,4-dimethoxycyclohexane
CID 140726408
[(3S,5R)-5-methylpyrrolidin-3-yl]methanol
CID 68712143
[(2S)-4-methoxy-3-methylpyrrolidin-2-yl]methanol
CID 90158081
2-tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
4-ethyl-2-methylpyrrolidine
CID 23313713
2-methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methoxy-2-methylpiperidine?
The IUPAC name of 4-tert-butyl-5-methoxy-2-methylpiperidine (CID 176834020) is 4-tert-butyl-5-methoxy-2-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-5-methoxy-2-methylpiperidine?
The canonical SMILES for 4-tert-butyl-5-methoxy-2-methylpiperidine is COC1CNC(C)CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methoxy-2-methylpiperidine?
The InChIKey is CKDYUSKQNLVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8-6-9(11(2,3)4)10(13-5)7-12-8/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 4-tert-butyl-5-methoxy-2-methylpiperidine?
4-tert-butyl-5-methoxy-2-methylpiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methoxy-2-methylpiperidine is sourced from PubChem (CID 176834020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).