(2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine

C11H21N — CID 163448635

IUPAC(2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine
SMILESC=C(CC)C1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C11H21N/c1-5-8(2)11-6-9(3)12-10(4)7-11/h9-12H,2,5-7H2,1,3-4H3/t9-,10+,11?
InChIKeyBERPUHWYHBVSTF-ZACCUICWSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds2

About (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine

(2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine (PubChem CID 163448635) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine.

Molecular Properties

Compound Name(2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine
PubChem CID163448635
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine
SMILESC=C(CC)C1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C11H21N/c1-5-8(2)11-6-9(3)12-10(4)7-11/h9-12H,2,5-7H2,1,3-4H3/t9-,10+,11?
InChIKeyBERPUHWYHBVSTF-ZACCUICWSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine?
The IUPAC name of (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine (CID 163448635) is (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine.
What is the SMILES notation for (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine?
The canonical SMILES for (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine is C=C(CC)C1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine?
The InChIKey is BERPUHWYHBVSTF-ZACCUICWSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8(2)11-6-9(3)12-10(4)7-11/h9-12H,2,5-7H2,1,3-4H3/t9-,10+,11?.
What are the key properties of (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine?
(2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-but-1-en-2-yl-2,6-dimethylpiperidine is sourced from PubChem (CID 163448635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).