(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol

C9H18N2O — CID 117273357

IUPAC(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol
SMILESNC1CCN(C/C=C/CO)CC1
InChIInChI=1S/C9H18N2O/c10-9-3-6-11(7-4-9)5-1-2-8-12/h1-2,9,12H,3-8,10H2/b2-1+
InChIKeyGXJUDNJZYUSWKB-OWOJBTEDSA-N
MW170.26 g/mol
LogP-0.04
Rot. Bonds3

About (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol

(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol (PubChem CID 117273357) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol
PubChem CID117273357
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol
SMILESNC1CCN(C/C=C/CO)CC1
InChIInChI=1S/C9H18N2O/c10-9-3-6-11(7-4-9)5-1-2-8-12/h1-2,9,12H,3-8,10H2/b2-1+
InChIKeyGXJUDNJZYUSWKB-OWOJBTEDSA-N
XLogP-0.04
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol?
The IUPAC name of (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol (CID 117273357) is (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol?
The canonical SMILES for (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol is NC1CCN(C/C=C/CO)CC1.
What is the InChIKey of (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol?
The InChIKey is GXJUDNJZYUSWKB-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H18N2O/c10-9-3-6-11(7-4-9)5-1-2-8-12/h1-2,9,12H,3-8,10H2/b2-1+.
What are the key properties of (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol?
(E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol has a molecular weight of 170.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-aminopiperidin-1-yl)but-2-en-1-ol is sourced from PubChem (CID 117273357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).