(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol

C12H19NO — CID 88562294

IUPAC(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)C1CCCNC1
InChIInChI=1S/C12H19NO/c1-3-11(7-6-10(2)14)12-5-4-8-13-9-12/h3,6-7,12-14H,2,4-5,8-9H2,1H3/b7-6-,11-3+
InChIKeyISIRKXUGXABHTJ-QIMMWDNGSA-N
MW193.29 g/mol
LogP2.56
Rot. Bonds3

About (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol

(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol (PubChem CID 88562294) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
PubChem CID88562294
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)C1CCCNC1
InChIInChI=1S/C12H19NO/c1-3-11(7-6-10(2)14)12-5-4-8-13-9-12/h3,6-7,12-14H,2,4-5,8-9H2,1H3/b7-6-,11-3+
InChIKeyISIRKXUGXABHTJ-QIMMWDNGSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol?
The IUPAC name of (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol (CID 88562294) is (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol.
What is the SMILES notation for (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol?
The canonical SMILES for (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol is C=C(O)/C=C\C(=C/C)C1CCCNC1.
What is the InChIKey of (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol?
The InChIKey is ISIRKXUGXABHTJ-QIMMWDNGSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-11(7-6-10(2)14)12-5-4-8-13-9-12/h3,6-7,12-14H,2,4-5,8-9H2,1H3/b7-6-,11-3+.
What are the key properties of (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol?
(3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol has a molecular weight of 193.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-piperidin-3-ylhepta-1,3,5-trien-2-ol is sourced from PubChem (CID 88562294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).