4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol

C13H20FNO — CID 134365797

IUPAC4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
SMILESC=C(F)/C=C\C(=C/C)C1(O)CCN(C)CC1
InChIInChI=1S/C13H20FNO/c1-4-12(6-5-11(2)14)13(16)7-9-15(3)10-8-13/h4-6,16H,2,7-10H2,1,3H3/b6-5-,12-4+
InChIKeyPXQPBMSCOFAWIU-JWUPWDRQSA-N
MW225.31 g/mol
LogP2.43
Rot. Bonds3

About 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol

4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol (PubChem CID 134365797) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
PubChem CID134365797
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
SMILESC=C(F)/C=C\C(=C/C)C1(O)CCN(C)CC1
InChIInChI=1S/C13H20FNO/c1-4-12(6-5-11(2)14)13(16)7-9-15(3)10-8-13/h4-6,16H,2,7-10H2,1,3H3/b6-5-,12-4+
InChIKeyPXQPBMSCOFAWIU-JWUPWDRQSA-N
XLogP2.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol (CID 134365797) is 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol is C=C(F)/C=C\C(=C/C)C1(O)CCN(C)CC1.
What is the InChIKey of 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol?
The InChIKey is PXQPBMSCOFAWIU-JWUPWDRQSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-12(6-5-11(2)14)13(16)7-9-15(3)10-8-13/h4-6,16H,2,7-10H2,1,3H3/b6-5-,12-4+.
What are the key properties of 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol?
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol has a molecular weight of 225.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 134365797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).