(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine

C11H23N — CID 58874495

IUPAC(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
SMILESCN1CCCC[C@H]1CC(C)(C)C
InChIInChI=1S/C11H23N/c1-11(2,3)9-10-7-5-6-8-12(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyHQZOGWDHFHXVMC-JTQLQIEISA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds1

About (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine

(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine (PubChem CID 58874495) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
PubChem CID58874495
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine
SMILESCN1CCCC[C@H]1CC(C)(C)C
InChIInChI=1S/C11H23N/c1-11(2,3)9-10-7-5-6-8-12(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1
InChIKeyHQZOGWDHFHXVMC-JTQLQIEISA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
2-methyl-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 111113367
4-(2,2-dimethylpropyl)-1-methylpiperidine;1-methyl-2-(2-methylpropyl)piperidine;1-methyl-3-(2-methylpropyl)piperidine
CID 161134297
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine?
The IUPAC name of (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine (CID 58874495) is (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine?
The canonical SMILES for (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine is CN1CCCC[C@H]1CC(C)(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine?
The InChIKey is HQZOGWDHFHXVMC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N/c1-11(2,3)9-10-7-5-6-8-12(10)4/h10H,5-9H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine?
(2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropyl)-1-methylpiperidine is sourced from PubChem (CID 58874495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).