1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol

C16H25NO2 — CID 162656766

IUPAC1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol
SMILESCc1ccc(OCCCN2CCCC(O)C2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-6-7-16(14(2)11-13)19-10-4-9-17-8-3-5-15(18)12-17/h6-7,11,15,18H,3-5,8-10,12H2,1-2H3
InChIKeyKOGDCNSEHICSOS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds5

About 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol

1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol (PubChem CID 162656766) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol
PubChem CID162656766
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol
SMILESCc1ccc(OCCCN2CCCC(O)C2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-6-7-16(14(2)11-13)19-10-4-9-17-8-3-5-15(18)12-17/h6-7,11,15,18H,3-5,8-10,12H2,1-2H3
InChIKeyKOGDCNSEHICSOS-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.53
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 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol (CID 162656766) is 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol is Cc1ccc(OCCCN2CCCC(O)C2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol?
The InChIKey is KOGDCNSEHICSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-6-7-16(14(2)11-13)19-10-4-9-17-8-3-5-15(18)12-17/h6-7,11,15,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol?
1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-3-ol is sourced from PubChem (CID 162656766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).