1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol

C18H27NO2 — CID 69189076

IUPAC1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol
SMILESC=CCC(O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-7-18(20)16-8-10-17(11-9-16)21-15-6-14-19-12-4-3-5-13-19/h2,8-11,18,20H,1,3-7,12-15H2
InChIKeyDWCGMRVIGPHVEV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds8

About 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol

1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol (PubChem CID 69189076) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol
PubChem CID69189076
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol
SMILESC=CCC(O)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-7-18(20)16-8-10-17(11-9-16)21-15-6-14-19-12-4-3-5-13-19/h2,8-11,18,20H,1,3-7,12-15H2
InChIKeyDWCGMRVIGPHVEV-UHFFFAOYSA-N
XLogP3.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.55
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 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol?
The IUPAC name of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol (CID 69189076) is 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol.
What is the SMILES notation for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol?
The canonical SMILES for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol is C=CCC(O)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol?
The InChIKey is DWCGMRVIGPHVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-7-18(20)16-8-10-17(11-9-16)21-15-6-14-19-12-4-3-5-13-19/h2,8-11,18,20H,1,3-7,12-15H2.
What are the key properties of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol?
1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]but-3-en-1-ol is sourced from PubChem (CID 69189076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).