4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine

C11H22N2O — CID 77110583

IUPAC4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine
SMILESCCOC1CCN(CC=CCN)CC1
InChIInChI=1S/C11H22N2O/c1-2-14-11-5-9-13(10-6-11)8-4-3-7-12/h3-4,11H,2,5-10,12H2,1H3
InChIKeyPZBZHUZCTWSBIC-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.00
Rot. Bonds5

About 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine

4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine (PubChem CID 77110583) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine
PubChem CID77110583
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine
SMILESCCOC1CCN(CC=CCN)CC1
InChIInChI=1S/C11H22N2O/c1-2-14-11-5-9-13(10-6-11)8-4-3-7-12/h3-4,11H,2,5-10,12H2,1H3
InChIKeyPZBZHUZCTWSBIC-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-6-[(piperidin-4-yl)oxy]-N-(prop-2-en-1-yl)hexan-1-amine
CID 22279367
4-[(E)-but-2-enoxy]piperidine
CID 43346316
3-piperidin-4-yloxy-N,N-bis(prop-2-enyl)propan-1-amine
CID 55251447
N-(2-morpholin-2-ylethyl)-N-prop-2-enylprop-2-en-1-amine
CID 66428345
4-But-2-enoxypiperidine
CID 69523706
4-Methoxy-1-prop-2-enylpiperidine
CID 130715390
N-methyl-3-morpholin-2-yl-N-prop-2-enylpropan-1-amine
CID 141886157
N,N-dimethylprop-2-en-1-amine;2-ethylmorpholine
CID 141886168
1-[(E)-but-2-enyl]-4-ethoxypiperidine
CID 142818318
Ethane;4-prop-2-enoxypiperidine
CID 171805898
N-ethyl-2-methyl-N-(3-piperidin-4-yloxypropyl)prop-2-en-1-amine
CID 55251959
N-[2-(4-ethoxypiperidin-1-yl)ethyl]prop-2-en-1-amine
CID 62560160

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine (CID 77110583) is 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine is CCOC1CCN(CC=CCN)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine?
The InChIKey is PZBZHUZCTWSBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-14-11-5-9-13(10-6-11)8-4-3-7-12/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine?
4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 77110583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).