4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol

C21H31NO2 — CID 11978737

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C21H31NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h3-4,9-12,23H,1-2,5-8,13-18H2
InChIKeySRYJREKTTRLSIX-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.28
Rot. Bonds10

About 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol

4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol (PubChem CID 11978737) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
PubChem CID11978737
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C21H31NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h3-4,9-12,23H,1-2,5-8,13-18H2
InChIKeySRYJREKTTRLSIX-UHFFFAOYSA-N
XLogP4.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol (CID 11978737) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol?
The InChIKey is SRYJREKTTRLSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h3-4,9-12,23H,1-2,5-8,13-18H2.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol has a molecular weight of 329.48 g/mol, XLogP of 4.28, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 11978737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).