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

C10H19N — CID 126845322

IUPAC3-[(E)-3-methylbut-1-enyl]piperidine
SMILESCC(C)/C=C/C1CCCNC1
InChIInChI=1S/C10H19N/c1-9(2)5-6-10-4-3-7-11-8-10/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyTXOPAFFDPGBKPG-AATRIKPKSA-N
MW153.27 g/mol
LogP2.20
Rot. Bonds2

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

3-[(E)-3-methylbut-1-enyl]piperidine (PubChem CID 126845322) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-[(E)-3-methylbut-1-enyl]piperidine.

Molecular Properties

Compound Name3-[(E)-3-methylbut-1-enyl]piperidine
PubChem CID126845322
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-[(E)-3-methylbut-1-enyl]piperidine
SMILESCC(C)/C=C/C1CCCNC1
InChIInChI=1S/C10H19N/c1-9(2)5-6-10-4-3-7-11-8-10/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyTXOPAFFDPGBKPG-AATRIKPKSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(E)-3-methylbut-1-enyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperidin-3-ylethenol
CID 143898593
(Z)-4-piperidin-3-ylbut-3-enal
CID 117267528
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
ethane;piperidine-3-carbaldehyde;propane
CID 145347088
3-[(E)-prop-1-enyl]pyrrolidine
CID 87940337
3-but-1-enylpyrrolidine
CID 54030286
3-[(E)-2-methylbut-1-enyl]piperidine
CID 126845848
3-[(E)-prop-1-enyl]pyrrolidine;hydrochloride
CID 126845234
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
(1Z,3E)-1-(1-methyl-4-propan-2-ylpyrazol-5-yl)-4-piperidin-3-ylbuta-1,3-diene-1-thiol
CID 155373434
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
(E)-4-cycloheptylbut-3-en-2-amine
CID 103091494

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methylbut-1-enyl]piperidine?
The IUPAC name of 3-[(E)-3-methylbut-1-enyl]piperidine (CID 126845322) is 3-[(E)-3-methylbut-1-enyl]piperidine.
What is the SMILES notation for 3-[(E)-3-methylbut-1-enyl]piperidine?
The canonical SMILES for 3-[(E)-3-methylbut-1-enyl]piperidine is CC(C)/C=C/C1CCCNC1.
What is the InChIKey of 3-[(E)-3-methylbut-1-enyl]piperidine?
The InChIKey is TXOPAFFDPGBKPG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)5-6-10-4-3-7-11-8-10/h5-6,9-11H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of 3-[(E)-3-methylbut-1-enyl]piperidine?
3-[(E)-3-methylbut-1-enyl]piperidine has a molecular weight of 153.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methylbut-1-enyl]piperidine is sourced from PubChem (CID 126845322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).