3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol

C15H23NO2 — CID 10444765

IUPAC3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c17-10-5-11-18-15-7-4-6-14(12-15)13-16-8-2-1-3-9-16/h4,6-7,12,17H,1-3,5,8-11,13H2
InChIKeyJACPUZOKPSTMTK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds6

About 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol

3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol (PubChem CID 10444765) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol
PubChem CID10444765
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c17-10-5-11-18-15-7-4-6-14(12-15)13-16-8-2-1-3-9-16/h4,6-7,12,17H,1-3,5,8-11,13H2
InChIKeyJACPUZOKPSTMTK-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
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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Related Compounds

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2-[1-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]ethanol
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1-[(4-Phenylmethoxyphenyl)methyl]piperidin-4-ol
CID 3574233
3-Methoxy-N,N-dimethylbenzylamine
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1-Benzyl-4-(3-methoxybenzyl)piperazine
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[1-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol (CID 10444765) is 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol is OCCCOc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol?
The InChIKey is JACPUZOKPSTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-10-5-11-18-15-7-4-6-14(12-15)13-16-8-2-1-3-9-16/h4,6-7,12,17H,1-3,5,8-11,13H2.
What are the key properties of 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol?
3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-1-ylmethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 10444765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).