(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one

C12H21NO — CID 14765515

IUPAC(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C12H21NO/c1-11(2)12(14)7-6-10-13-8-4-3-5-9-13/h6-7,11H,3-5,8-10H2,1-2H3/b7-6+
InChIKeyATTHOTDVSBCSDM-VOTSOKGWSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds4

About (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one

(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one (PubChem CID 14765515) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one.

Molecular Properties

Compound Name(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one
PubChem CID14765515
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one
SMILESCC(C)C(=O)/C=C/CN1CCCCC1
InChIInChI=1S/C12H21NO/c1-11(2)12(14)7-6-10-13-8-4-3-5-9-13/h6-7,11H,3-5,8-10H2,1-2H3/b7-6+
InChIKeyATTHOTDVSBCSDM-VOTSOKGWSA-N
XLogP2.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one 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 (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one?
The IUPAC name of (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one (CID 14765515) is (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one.
What is the SMILES notation for (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one?
The canonical SMILES for (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one is CC(C)C(=O)/C=C/CN1CCCCC1.
What is the InChIKey of (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one?
The InChIKey is ATTHOTDVSBCSDM-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)12(14)7-6-10-13-8-4-3-5-9-13/h6-7,11H,3-5,8-10H2,1-2H3/b7-6+.
What are the key properties of (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one?
(E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-piperidin-1-ylhex-4-en-3-one is sourced from PubChem (CID 14765515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).