4-(2,2-dimethylpropyl)-3-methoxypiperidine

C11H23NO — CID 105441862

IUPAC4-(2,2-dimethylpropyl)-3-methoxypiperidine
SMILESCOC1CNCCC1CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-11(2,3)7-9-5-6-12-8-10(9)13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyNSWVVINTOCKHKE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-3-methoxypiperidine

4-(2,2-dimethylpropyl)-3-methoxypiperidine (PubChem CID 105441862) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methoxypiperidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methoxypiperidine
PubChem CID105441862
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(2,2-dimethylpropyl)-3-methoxypiperidine
SMILESCOC1CNCCC1CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-11(2,3)7-9-5-6-12-8-10(9)13-4/h9-10,12H,5-8H2,1-4H3
InChIKeyNSWVVINTOCKHKE-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
1-(2,2-dimethylpropyl)-2-methoxycyclohexane
CID 158846748
3-(2,2-dimethylpropyl)-4-methylpiperidine
CID 164775462
3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196
3-tert-butyl-4-methoxypiperidine
CID 117236477
(3R,4S)-4-methoxy-3-(2-methylbutan-2-yl)piperidine
CID 89213368
3-(cyclopropylmethyl)-4-methoxypyrrolidine
CID 84731345
3-(cyclobutylmethyl)-4-methoxypiperidine
CID 84732567
3-(2,2-dimethylpropyl)piperidine
CID 21041533
(3R)-3-fluoro-4-methoxypiperidine
CID 175540889
tert-butyl-[(3S,4S)-3-methoxypiperidin-4-yl]carbamic acid
CID 57486906
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methoxypiperidine?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methoxypiperidine (CID 105441862) is 4-(2,2-dimethylpropyl)-3-methoxypiperidine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methoxypiperidine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methoxypiperidine is COC1CNCCC1CC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methoxypiperidine?
The InChIKey is NSWVVINTOCKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)7-9-5-6-12-8-10(9)13-4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-methoxypiperidine?
4-(2,2-dimethylpropyl)-3-methoxypiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methoxypiperidine is sourced from PubChem (CID 105441862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).