1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol

C14H20FNO — CID 79691640

IUPAC1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cc(C)cc(F)c2)CC1
InChIInChI=1S/C14H20FNO/c1-3-16-6-4-14(17,5-7-16)12-8-11(2)9-13(15)10-12/h8-10,17H,3-7H2,1-2H3
InChIKeyMSAJQNKUVPDKOR-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.44
Rot. Bonds2

About 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol

1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol (PubChem CID 79691640) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol
PubChem CID79691640
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol
SMILESCCN1CCC(O)(c2cc(C)cc(F)c2)CC1
InChIInChI=1S/C14H20FNO/c1-3-16-6-4-14(17,5-7-16)12-8-11(2)9-13(15)10-12/h8-10,17H,3-7H2,1-2H3
InChIKeyMSAJQNKUVPDKOR-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol?
The IUPAC name of 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol (CID 79691640) is 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol?
The canonical SMILES for 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol is CCN1CCC(O)(c2cc(C)cc(F)c2)CC1.
What is the InChIKey of 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol?
The InChIKey is MSAJQNKUVPDKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-16-6-4-14(17,5-7-16)12-8-11(2)9-13(15)10-12/h8-10,17H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol?
1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol has a molecular weight of 237.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-fluoro-5-methylphenyl)piperidin-4-ol is sourced from PubChem (CID 79691640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).