1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride

C11H22ClN — CID 130718922

IUPAC1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride
SMILESC=CC(C)N1CCCC(CC)C1.Cl
InChIInChI=1S/C11H21N.ClH/c1-4-10(3)12-8-6-7-11(5-2)9-12;/h4,10-11H,1,5-9H2,2-3H3;1H
InChIKeyCAQNUOPOCFUUIQ-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.10
Rot. Bonds3

About 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride

1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride (PubChem CID 130718922) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride
PubChem CID130718922
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride
SMILESC=CC(C)N1CCCC(CC)C1.Cl
InChIInChI=1S/C11H21N.ClH/c1-4-10(3)12-8-6-7-11(5-2)9-12;/h4,10-11H,1,5-9H2,2-3H3;1H
InChIKeyCAQNUOPOCFUUIQ-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride 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

1-but-3-en-2-yl-3-ethylpyrrolidine
CID 130978482
(3R)-1-but-3-en-2-yl-N-propan-2-ylpiperidin-3-amine
CID 166764327
3-(3-ethylpiperidin-1-yl)butanethioamide
CID 60914688
1-but-3-en-2-yl-4-methylazepane
CID 131042080
N-[2-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62433783
1-(1-but-3-en-2-ylpyrrolidin-3-yl)ethanol
CID 112628254
2-(3-ethylpiperidin-1-yl)-N-propylpropan-1-amine
CID 62433605
N-[2-(3-ethylpiperidin-1-yl)propyl]cyclohexanamine
CID 62569538
2-(1-but-3-en-2-ylpiperidin-3-yl)-2-methylpropanoic acid
CID 83198227
2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501631
1-benzhydryl-3-ethylpiperidine
CID 22970041
N-ethyl-2-(3-ethylpiperidin-1-yl)butan-1-amine
CID 62433974

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride?
The IUPAC name of 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride (CID 130718922) is 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride.
What is the SMILES notation for 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride?
The canonical SMILES for 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride is C=CC(C)N1CCCC(CC)C1.Cl.
What is the InChIKey of 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride?
The InChIKey is CAQNUOPOCFUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-4-10(3)12-8-6-7-11(5-2)9-12;/h4,10-11H,1,5-9H2,2-3H3;1H.
What are the key properties of 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride?
1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3-ethylpiperidine;hydrochloride is sourced from PubChem (CID 130718922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).