(E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid

C10H17NO2 — CID 62343720

IUPAC(E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid
SMILESCC1CCN(C/C=C/C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-9-4-7-11(8-5-9)6-2-3-10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyHKZUCAQEGZRFGH-NSCUHMNNSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

About (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid

(E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid (PubChem CID 62343720) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid
PubChem CID62343720
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid
SMILESCC1CCN(C/C=C/C(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-9-4-7-11(8-5-9)6-2-3-10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+
InChIKeyHKZUCAQEGZRFGH-NSCUHMNNSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid?
The IUPAC name of (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid (CID 62343720) is (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid.
What is the SMILES notation for (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid?
The canonical SMILES for (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid is CC1CCN(C/C=C/C(=O)O)CC1.
What is the InChIKey of (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid?
The InChIKey is HKZUCAQEGZRFGH-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9-4-7-11(8-5-9)6-2-3-10(12)13/h2-3,9H,4-8H2,1H3,(H,12,13)/b3-2+.
What are the key properties of (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid?
(E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methylpiperidin-1-yl)but-2-enoic acid is sourced from PubChem (CID 62343720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).