(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol

C10H19NO — CID 31196432

IUPAC(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol
SMILESC/C=C(\C)CN1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO/c1-3-9(2)7-11-6-4-5-10(12)8-11/h3,10,12H,4-8H2,1-2H3/b9-3+/t10-/m0/s1
InChIKeyJRPNTMACYCMZSW-RZCNENHTSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds2

About (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol

(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol (PubChem CID 31196432) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol
PubChem CID31196432
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol
SMILESC/C=C(\C)CN1CCC[C@H](O)C1
InChIInChI=1S/C10H19NO/c1-3-9(2)7-11-6-4-5-10(12)8-11/h3,10,12H,4-8H2,1-2H3/b9-3+/t10-/m0/s1
InChIKeyJRPNTMACYCMZSW-RZCNENHTSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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'}

Analyze (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol (CID 31196432) is (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol is C/C=C(\C)CN1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol?
The InChIKey is JRPNTMACYCMZSW-RZCNENHTSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(2)7-11-6-4-5-10(12)8-11/h3,10,12H,4-8H2,1-2H3/b9-3+/t10-/m0/s1.
What are the key properties of (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol?
(3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(E)-2-methylbut-2-enyl]piperidin-3-ol is sourced from PubChem (CID 31196432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).