(3R,4R)-3-ethenyl-4-methylpiperidine

C8H15N — CID 142007594

IUPAC(3R,4R)-3-ethenyl-4-methylpiperidine
SMILESC=C[C@H]1CNCC[C@H]1C
InChIInChI=1S/C8H15N/c1-3-8-6-9-5-4-7(8)2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyIRWCVRQNHZUOLL-SFYZADRCSA-N
MW125.22 g/mol
LogP1.42
Rot. Bonds1

About (3R,4R)-3-ethenyl-4-methylpiperidine

(3R,4R)-3-ethenyl-4-methylpiperidine (PubChem CID 142007594) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is (3R,4R)-3-ethenyl-4-methylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-ethenyl-4-methylpiperidine
PubChem CID142007594
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name(3R,4R)-3-ethenyl-4-methylpiperidine
SMILESC=C[C@H]1CNCC[C@H]1C
InChIInChI=1S/C8H15N/c1-3-8-6-9-5-4-7(8)2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1
InChIKeyIRWCVRQNHZUOLL-SFYZADRCSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-ethenylpyrrolidine
CID 641531
4,5-dimethylazepane
CID 83679426
(3R,4R)-N,4-dimethylpiperidin-3-amine;dihydrochloride
CID 67295221
3-hept-6-enoxy-4-methylpiperidine
CID 107007754
N-(4-methylpiperidin-3-yl)but-3-ene-1-sulfonamide;hydrochloride
CID 120723171
N-but-3-en-2-yl-3-methylpiperidin-4-amine
CID 130590143
(3S)-4-methylpiperidine-3-carboxylic acid
CID 67216948
[(3R,4S)-4-methylpiperidin-3-yl]methanol
CID 124538044
CID 166075520
CID 166075520
3-(ethoxymethyl)-4-methylpiperidine
CID 106780348
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197
4-cyclohexyl-3-methylpiperidine
CID 79320400

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethenyl-4-methylpiperidine?
The IUPAC name of (3R,4R)-3-ethenyl-4-methylpiperidine (CID 142007594) is (3R,4R)-3-ethenyl-4-methylpiperidine.
What is the SMILES notation for (3R,4R)-3-ethenyl-4-methylpiperidine?
The canonical SMILES for (3R,4R)-3-ethenyl-4-methylpiperidine is C=C[C@H]1CNCC[C@H]1C.
What is the InChIKey of (3R,4R)-3-ethenyl-4-methylpiperidine?
The InChIKey is IRWCVRQNHZUOLL-SFYZADRCSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8-6-9-5-4-7(8)2/h3,7-9H,1,4-6H2,2H3/t7-,8+/m1/s1.
What are the key properties of (3R,4R)-3-ethenyl-4-methylpiperidine?
(3R,4R)-3-ethenyl-4-methylpiperidine has a molecular weight of 125.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethenyl-4-methylpiperidine is sourced from PubChem (CID 142007594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).