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

C19H29NO3 — CID 71601695

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol
SMILESOC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1
InChIInChI=1S/C19H29NO3/c21-19(9-15-22-16-10-19)17-5-7-18(8-6-17)23-14-4-13-20-11-2-1-3-12-20/h5-8,21H,1-4,9-16H2
InChIKeyKNWYYEAYJQSPCW-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.94
Rot. Bonds6

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

4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol (PubChem CID 71601695) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol
PubChem CID71601695
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol
SMILESOC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1
InChIInChI=1S/C19H29NO3/c21-19(9-15-22-16-10-19)17-5-7-18(8-6-17)23-14-4-13-20-11-2-1-3-12-20/h5-8,21H,1-4,9-16H2
InChIKeyKNWYYEAYJQSPCW-UHFFFAOYSA-N
XLogP2.94
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol (CID 71601695) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol is OC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol?
The InChIKey is KNWYYEAYJQSPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c21-19(9-15-22-16-10-19)17-5-7-18(8-6-17)23-14-4-13-20-11-2-1-3-12-20/h5-8,21H,1-4,9-16H2.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol has a molecular weight of 319.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-ol is sourced from PubChem (CID 71601695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).