1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol

C17H27NO2 — CID 39376653

IUPAC1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol
SMILESCc1cc(C)c(OCCCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H27NO2/c1-13-11-14(2)17(15(3)12-13)20-10-4-7-18-8-5-16(19)6-9-18/h11-12,16,19H,4-10H2,1-3H3
InChIKeyGLODEDLQTXOCLZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds5

About 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol

1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol (PubChem CID 39376653) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol
PubChem CID39376653
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol
SMILESCc1cc(C)c(OCCCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H27NO2/c1-13-11-14(2)17(15(3)12-13)20-10-4-7-18-8-5-16(19)6-9-18/h11-12,16,19H,4-10H2,1-3H3
InChIKeyGLODEDLQTXOCLZ-UHFFFAOYSA-N
XLogP2.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
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-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol (CID 39376653) is 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol is Cc1cc(C)c(OCCCN2CCC(O)CC2)c(C)c1.
What is the InChIKey of 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol?
The InChIKey is GLODEDLQTXOCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-11-14(2)17(15(3)12-13)20-10-4-7-18-8-5-16(19)6-9-18/h11-12,16,19H,4-10H2,1-3H3.
What are the key properties of 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol?
1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol has a molecular weight of 277.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-4-ol is sourced from PubChem (CID 39376653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).