(3S)-3-ethyl-2,2-dimethylpiperidine

C9H19N — CID 166889857

IUPAC(3S)-3-ethyl-2,2-dimethylpiperidine
SMILESCC[C@H]1CCCNC1(C)C
InChIInChI=1S/C9H19N/c1-4-8-6-5-7-10-9(8,2)3/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyMZHFUXMJFNOTQF-QMMMGPOBSA-N
MW141.26 g/mol
LogP2.17
Rot. Bonds1

About (3S)-3-ethyl-2,2-dimethylpiperidine

(3S)-3-ethyl-2,2-dimethylpiperidine (PubChem CID 166889857) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3S)-3-ethyl-2,2-dimethylpiperidine.

Molecular Properties

Compound Name(3S)-3-ethyl-2,2-dimethylpiperidine
PubChem CID166889857
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3S)-3-ethyl-2,2-dimethylpiperidine
SMILESCC[C@H]1CCCNC1(C)C
InChIInChI=1S/C9H19N/c1-4-8-6-5-7-10-9(8,2)3/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyMZHFUXMJFNOTQF-QMMMGPOBSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-ethyl-1-fluoro-N-methylcyclopentan-1-amine
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9-ethyl-6-azaspiro[3.5]nonane
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5-ethyl-3-azaspiro[5.7]tridecane
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2-(4-ethylcyclohexyl)-2-methylazepane
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-2,2-dimethylpiperidine?
The IUPAC name of (3S)-3-ethyl-2,2-dimethylpiperidine (CID 166889857) is (3S)-3-ethyl-2,2-dimethylpiperidine.
What is the SMILES notation for (3S)-3-ethyl-2,2-dimethylpiperidine?
The canonical SMILES for (3S)-3-ethyl-2,2-dimethylpiperidine is CC[C@H]1CCCNC1(C)C.
What is the InChIKey of (3S)-3-ethyl-2,2-dimethylpiperidine?
The InChIKey is MZHFUXMJFNOTQF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N/c1-4-8-6-5-7-10-9(8,2)3/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-3-ethyl-2,2-dimethylpiperidine?
(3S)-3-ethyl-2,2-dimethylpiperidine has a molecular weight of 141.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-2,2-dimethylpiperidine is sourced from PubChem (CID 166889857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).