(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol

C16H27NO — CID 155356420

IUPAC(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol
SMILESC=C(/C=C\C(=C/CC)C(O)C1CCNCC1)CC
InChIInChI=1S/C16H27NO/c1-4-6-14(8-7-13(3)5-2)16(18)15-9-11-17-12-10-15/h6-8,15-18H,3-5,9-12H2,1-2H3/b8-7-,14-6+
InChIKeyQVJIZPAKZUBDKZ-FBOINPIASA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds6

About (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol

(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol (PubChem CID 155356420) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol.

Molecular Properties

Compound Name(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol
PubChem CID155356420
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol
SMILESC=C(/C=C\C(=C/CC)C(O)C1CCNCC1)CC
InChIInChI=1S/C16H27NO/c1-4-6-14(8-7-13(3)5-2)16(18)15-9-11-17-12-10-15/h6-8,15-18H,3-5,9-12H2,1-2H3/b8-7-,14-6+
InChIKeyQVJIZPAKZUBDKZ-FBOINPIASA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-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 (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol?
The IUPAC name of (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol (CID 155356420) is (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol.
What is the SMILES notation for (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol?
The canonical SMILES for (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol is C=C(/C=C\C(=C/CC)C(O)C1CCNCC1)CC.
What is the InChIKey of (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol?
The InChIKey is QVJIZPAKZUBDKZ-FBOINPIASA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-14(8-7-13(3)5-2)16(18)15-9-11-17-12-10-15/h6-8,15-18H,3-5,9-12H2,1-2H3/b8-7-,14-6+.
What are the key properties of (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol?
(Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-5-methylidene-1-piperidin-4-yl-2-propylidenehept-3-en-1-ol is sourced from PubChem (CID 155356420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).