4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol

C18H29NO2 — CID 71601698

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-16(20)6-7-17-8-10-18(11-9-17)21-15-5-14-19-12-3-2-4-13-19/h8-11,16,20H,2-7,12-15H2,1H3
InChIKeyYOSKPOBAOAIUGX-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.25
Rot. Bonds8

About 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol

4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol (PubChem CID 71601698) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
PubChem CID71601698
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29NO2/c1-16(20)6-7-17-8-10-18(11-9-17)21-15-5-14-19-12-3-2-4-13-19/h8-11,16,20H,2-7,12-15H2,1H3
InChIKeyYOSKPOBAOAIUGX-UHFFFAOYSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]butan-2-ol?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol (CID 71601698) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol is CC(O)CCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
The InChIKey is YOSKPOBAOAIUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-16(20)6-7-17-8-10-18(11-9-17)21-15-5-14-19-12-3-2-4-13-19/h8-11,16,20H,2-7,12-15H2,1H3.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]butan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.25, 8 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]butan-2-ol is sourced from PubChem (CID 71601698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).