(Z)-4-piperidin-4-ylbut-2-en-1-amine

C9H18N2 — CID 117265742

IUPAC(Z)-4-piperidin-4-ylbut-2-en-1-amine
SMILESNC/C=C\CC1CCNCC1
InChIInChI=1S/C9H18N2/c10-6-2-1-3-9-4-7-11-8-5-9/h1-2,9,11H,3-8,10H2/b2-1-
InChIKeyVWMNBGNXSKGYGM-UPHRSURJSA-N
MW154.26 g/mol
LogP0.89
Rot. Bonds3

About (Z)-4-piperidin-4-ylbut-2-en-1-amine

(Z)-4-piperidin-4-ylbut-2-en-1-amine (PubChem CID 117265742) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-4-piperidin-4-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-piperidin-4-ylbut-2-en-1-amine
PubChem CID117265742
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-4-piperidin-4-ylbut-2-en-1-amine
SMILESNC/C=C\CC1CCNCC1
InChIInChI=1S/C9H18N2/c10-6-2-1-3-9-4-7-11-8-5-9/h1-2,9,11H,3-8,10H2/b2-1-
InChIKeyVWMNBGNXSKGYGM-UPHRSURJSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexylbut-2-en-1-amine;hydrochloride
CID 67913983
2-piperidin-4-ylacetaldehyde
CID 23401441
iron(5+);piperidin-4-ylmethanamine;pentacyanide
CID 88790374
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
4-(piperidin-4-ylmethyl)piperidine
CID 14123199
3-but-2-enylpyrrolidine
CID 54482809
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
(Z)-N,N'-dimethyl-4-piperidin-4-ylbut-2-enimidamide
CID 144744633
tert-butyl formate;piperidin-4-ylmethanamine;hydrochloride
CID 174583212
2-amino-3-piperidin-4-ylpropanal
CID 22642524
[(Z)-pent-2-enyl]cyclohexane
CID 142389196
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833

Frequently Asked Questions

What is the IUPAC name of (Z)-4-piperidin-4-ylbut-2-en-1-amine?
The IUPAC name of (Z)-4-piperidin-4-ylbut-2-en-1-amine (CID 117265742) is (Z)-4-piperidin-4-ylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-piperidin-4-ylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-piperidin-4-ylbut-2-en-1-amine is NC/C=C\CC1CCNCC1.
What is the InChIKey of (Z)-4-piperidin-4-ylbut-2-en-1-amine?
The InChIKey is VWMNBGNXSKGYGM-UPHRSURJSA-N. The full InChI is InChI=1S/C9H18N2/c10-6-2-1-3-9-4-7-11-8-5-9/h1-2,9,11H,3-8,10H2/b2-1-.
What are the key properties of (Z)-4-piperidin-4-ylbut-2-en-1-amine?
(Z)-4-piperidin-4-ylbut-2-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-piperidin-4-ylbut-2-en-1-amine is sourced from PubChem (CID 117265742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).