1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol

C16H25NO2 — CID 82486099

IUPAC1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
SMILESCOc1c(C)cc(C)cc1CCN1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-12-10-13(2)16(19-3)14(11-12)4-7-17-8-5-15(18)6-9-17/h10-11,15,18H,4-9H2,1-3H3
InChIKeyLHWOSJSQWUEJNW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.31
Rot. Bonds4

About 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol

1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol (PubChem CID 82486099) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
PubChem CID82486099
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
SMILESCOc1c(C)cc(C)cc1CCN1CCC(O)CC1
InChIInChI=1S/C16H25NO2/c1-12-10-13(2)16(19-3)14(11-12)4-7-17-8-5-15(18)6-9-17/h10-11,15,18H,4-9H2,1-3H3
InChIKeyLHWOSJSQWUEJNW-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol (CID 82486099) is 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol is COc1c(C)cc(C)cc1CCN1CCC(O)CC1.
What is the InChIKey of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol?
The InChIKey is LHWOSJSQWUEJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-10-13(2)16(19-3)14(11-12)4-7-17-8-5-15(18)6-9-17/h10-11,15,18H,4-9H2,1-3H3.
What are the key properties of 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol?
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82486099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).