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

C16H25NO2 — CID 39363376

IUPAC1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol
SMILESCc1ccc(OCCCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-4-5-16(14(2)12-13)19-11-3-8-17-9-6-15(18)7-10-17/h4-5,12,15,18H,3,6-11H2,1-2H3
InChIKeyXJNUIIAVLAICAO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.53
Rot. Bonds5

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

1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol (PubChem CID 39363376) 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-4-ol.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol
PubChem CID39363376
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol
SMILESCc1ccc(OCCCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C16H25NO2/c1-13-4-5-16(14(2)12-13)19-11-3-8-17-9-6-15(18)7-10-17/h4-5,12,15,18H,3,6-11H2,1-2H3
InChIKeyXJNUIIAVLAICAO-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-4-ol?
The IUPAC name of 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol (CID 39363376) is 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol is Cc1ccc(OCCCN2CCC(O)CC2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol?
The InChIKey is XJNUIIAVLAICAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-4-5-16(14(2)12-13)19-11-3-8-17-9-6-15(18)7-10-17/h4-5,12,15,18H,3,6-11H2,1-2H3.
What are the key properties of 1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-ol?
1-[3-(2,4-dimethylphenoxy)propyl]piperidin-4-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-4-ol is sourced from PubChem (CID 39363376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).