3-tert-butyl-5-methylpiperidine

C10H21N — CID 106778919

IUPAC3-tert-butyl-5-methylpiperidine
SMILESCC1CNCC(C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-8-5-9(7-11-6-8)10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyRCXPQMZSCBTBJG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.28
Rot. Bonds

About 3-tert-butyl-5-methylpiperidine

3-tert-butyl-5-methylpiperidine (PubChem CID 106778919) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 3-tert-butyl-5-methylpiperidine.

Molecular Properties

Compound Name3-tert-butyl-5-methylpiperidine
PubChem CID106778919
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name3-tert-butyl-5-methylpiperidine
SMILESCC1CNCC(C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-8-5-9(7-11-6-8)10(2,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyRCXPQMZSCBTBJG-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;3,5-dimethylpiperidine
CID 23174858
5-tert-butyl-1,3-diazinane
CID 153432359
3-tert-butyl-5-ethenylpiperidine
CID 155121651
3-(chloromethyl)-5-methylpiperidine
CID 130804325
(3R,5S)-5-methylpiperidin-3-amine
CID 90290401
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
2-[(3S,5R)-5-(2-hydroxypropan-2-yl)piperidin-3-yl]propan-2-ol
CID 171842845
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
CID 167994766
ethane;3-methyl-5-(2,4,4-trimethylpentan-2-yl)azepane
CID 143027362
3-cyclopropyl-5-methylpiperidine
CID 82594091
ethane;3-methylazetidine
CID 90730870
(3R)-3-tert-butylpiperidine
CID 59772800

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methylpiperidine?
The IUPAC name of 3-tert-butyl-5-methylpiperidine (CID 106778919) is 3-tert-butyl-5-methylpiperidine.
What is the SMILES notation for 3-tert-butyl-5-methylpiperidine?
The canonical SMILES for 3-tert-butyl-5-methylpiperidine is CC1CNCC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5-methylpiperidine?
The InChIKey is RCXPQMZSCBTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-8-5-9(7-11-6-8)10(2,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methylpiperidine?
3-tert-butyl-5-methylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methylpiperidine is sourced from PubChem (CID 106778919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).