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

C11H23N — CID 164775462

IUPAC3-(2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCNCC1CC(C)(C)C
InChIInChI=1S/C11H23N/c1-9-5-6-12-8-10(9)7-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWXWXMOQIQMWSTO-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds1

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

3-(2,2-dimethylpropyl)-4-methylpiperidine (PubChem CID 164775462) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4-methylpiperidine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4-methylpiperidine
PubChem CID164775462
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-(2,2-dimethylpropyl)-4-methylpiperidine
SMILESCC1CCNCC1CC(C)(C)C
InChIInChI=1S/C11H23N/c1-9-5-6-12-8-10(9)7-11(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWXWXMOQIQMWSTO-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
[(3R,4S)-4-methylpiperidin-3-yl]methanol
CID 124538044
4-(2,2-dimethylpropyl)-3-methoxypiperidine
CID 105441862
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
3-(cyclobutylmethyl)-4-methylpiperidine
CID 106779274
1,1,1-trifluoro-3-(4-methylpiperidin-3-yl)propan-2-one
CID 147887564
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
3-(2,2-dimethylpropyl)piperidine
CID 21041533
3-(3-ethylsulfonylpropyl)-4-methylpiperidine
CID 106779394
(3R)-N-tert-butyl-4-methylpiperidin-3-amine
CID 155223046
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4-methylpiperidine?
The IUPAC name of 3-(2,2-dimethylpropyl)-4-methylpiperidine (CID 164775462) is 3-(2,2-dimethylpropyl)-4-methylpiperidine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4-methylpiperidine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4-methylpiperidine is CC1CCNCC1CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4-methylpiperidine?
The InChIKey is WXWXMOQIQMWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9-5-6-12-8-10(9)7-11(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropyl)-4-methylpiperidine?
3-(2,2-dimethylpropyl)-4-methylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4-methylpiperidine is sourced from PubChem (CID 164775462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).