3-[(E)-2-methylbut-1-enyl]piperidine

C10H19N — CID 126845848

IUPAC3-[(E)-2-methylbut-1-enyl]piperidine
SMILESCC/C(C)=C/C1CCCNC1
InChIInChI=1S/C10H19N/c1-3-9(2)7-10-5-4-6-11-8-10/h7,10-11H,3-6,8H2,1-2H3/b9-7+
InChIKeyMLJMMWHLWWQIEF-VQHVLOKHSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds2

About 3-[(E)-2-methylbut-1-enyl]piperidine

3-[(E)-2-methylbut-1-enyl]piperidine (PubChem CID 126845848) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-[(E)-2-methylbut-1-enyl]piperidine.

Molecular Properties

Compound Name3-[(E)-2-methylbut-1-enyl]piperidine
PubChem CID126845848
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-[(E)-2-methylbut-1-enyl]piperidine
SMILESCC/C(C)=C/C1CCCNC1
InChIInChI=1S/C10H19N/c1-3-9(2)7-10-5-4-6-11-8-10/h7,10-11H,3-6,8H2,1-2H3/b9-7+
InChIKeyMLJMMWHLWWQIEF-VQHVLOKHSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
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

4-[(E)-2-methylbut-1-enyl]piperidine
CID 126845850
ethane;piperidine-3-carbaldehyde;propane
CID 145347088
2-piperidin-3-ylethenol
CID 143898593
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
3-[(E)-3-methylbut-1-enyl]piperidine
CID 126845322
(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
piperidin-3-ol;triethylborane
CID 159801081
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
N-piperidin-3-ylpropanamide
CID 3520588
ethoxy-[(3R)-piperidin-3-yl]methanol
CID 143093880
(1R)-2-cyclopropyl-1-[(3S)-piperidin-3-yl]ethanol
CID 124570391
2-piperidin-3-ylbutan-2-ol
CID 63586087

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methylbut-1-enyl]piperidine?
The IUPAC name of 3-[(E)-2-methylbut-1-enyl]piperidine (CID 126845848) is 3-[(E)-2-methylbut-1-enyl]piperidine.
What is the SMILES notation for 3-[(E)-2-methylbut-1-enyl]piperidine?
The canonical SMILES for 3-[(E)-2-methylbut-1-enyl]piperidine is CC/C(C)=C/C1CCCNC1.
What is the InChIKey of 3-[(E)-2-methylbut-1-enyl]piperidine?
The InChIKey is MLJMMWHLWWQIEF-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19N/c1-3-9(2)7-10-5-4-6-11-8-10/h7,10-11H,3-6,8H2,1-2H3/b9-7+.
What are the key properties of 3-[(E)-2-methylbut-1-enyl]piperidine?
3-[(E)-2-methylbut-1-enyl]piperidine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methylbut-1-enyl]piperidine is sourced from PubChem (CID 126845848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).