(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol

C10H19NO — CID 14658329

IUPAC(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
SMILESC/C(=C\CN1CCCCC1)CO
InChIInChI=1S/C10H19NO/c1-10(9-12)5-8-11-6-3-2-4-7-11/h5,12H,2-4,6-9H2,1H3/b10-5+
InChIKeyBXTBWYMRSKTRSB-BJMVGYQFSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol

(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol (PubChem CID 14658329) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
PubChem CID14658329
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
SMILESC/C(=C\CN1CCCCC1)CO
InChIInChI=1S/C10H19NO/c1-10(9-12)5-8-11-6-3-2-4-7-11/h5,12H,2-4,6-9H2,1H3/b10-5+
InChIKeyBXTBWYMRSKTRSB-BJMVGYQFSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol?
The IUPAC name of (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol (CID 14658329) is (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol.
What is the SMILES notation for (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol?
The canonical SMILES for (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol is C/C(=C\CN1CCCCC1)CO.
What is the InChIKey of (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol?
The InChIKey is BXTBWYMRSKTRSB-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(9-12)5-8-11-6-3-2-4-7-11/h5,12H,2-4,6-9H2,1H3/b10-5+.
What are the key properties of (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol?
(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol is sourced from PubChem (CID 14658329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).