1-methyl-2-(2-methylpentan-2-yl)piperidine

C12H25N — CID 57185031

IUPAC1-methyl-2-(2-methylpentan-2-yl)piperidine
SMILESCCCC(C)(C)C1CCCCN1C
InChIInChI=1S/C12H25N/c1-5-9-12(2,3)11-8-6-7-10-13(11)4/h11H,5-10H2,1-4H3
InChIKeyVUCQBCWMDMLJJT-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About 1-methyl-2-(2-methylpentan-2-yl)piperidine

1-methyl-2-(2-methylpentan-2-yl)piperidine (PubChem CID 57185031) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpentan-2-yl)piperidine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpentan-2-yl)piperidine
PubChem CID57185031
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-methyl-2-(2-methylpentan-2-yl)piperidine
SMILESCCCC(C)(C)C1CCCCN1C
InChIInChI=1S/C12H25N/c1-5-9-12(2,3)11-8-6-7-10-13(11)4/h11H,5-10H2,1-4H3
InChIKeyVUCQBCWMDMLJJT-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-methyl-2-(1-methylpyrrolidin-2-yl)propan-2-amine
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3-methyl-3-(1-methylpiperidin-2-yl)butan-2-one
CID 58834330
2-methyl-2-[(2R)-1-methylpiperidin-2-yl]propanoic acid
CID 66887633
2-methyl-2-[(2S)-1-methylpiperidin-2-yl]propanoic acid
CID 66889115
1-butyl-2-tert-butylpiperidine
CID 58060832
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpyrrolidine
CID 156743098
2-(3-methoxypentan-3-yl)-1-methylpyrrolidine
CID 89390542
1-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazine
CID 51614709
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
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2-[(E)-3,3-dimethylhex-1-enyl]-1-methylpyrrolidine
CID 146324329

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpentan-2-yl)piperidine?
The IUPAC name of 1-methyl-2-(2-methylpentan-2-yl)piperidine (CID 57185031) is 1-methyl-2-(2-methylpentan-2-yl)piperidine.
What is the SMILES notation for 1-methyl-2-(2-methylpentan-2-yl)piperidine?
The canonical SMILES for 1-methyl-2-(2-methylpentan-2-yl)piperidine is CCCC(C)(C)C1CCCCN1C.
What is the InChIKey of 1-methyl-2-(2-methylpentan-2-yl)piperidine?
The InChIKey is VUCQBCWMDMLJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-9-12(2,3)11-8-6-7-10-13(11)4/h11H,5-10H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylpentan-2-yl)piperidine?
1-methyl-2-(2-methylpentan-2-yl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpentan-2-yl)piperidine is sourced from PubChem (CID 57185031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).