3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol

C18H28FNO2 — CID 22413641

IUPAC3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol
SMILESCC(O)C(CCc1ccc(F)cc1)C(C)(O)N1CCCCC1
InChIInChI=1S/C18H28FNO2/c1-14(21)17(11-8-15-6-9-16(19)10-7-15)18(2,22)20-12-4-3-5-13-20/h6-7,9-10,14,17,21-22H,3-5,8,11-13H2,1-2H3
InChIKeyDRDLCQOTMDFLHX-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.95
Rot. Bonds6

About 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol

3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol (PubChem CID 22413641) has the molecular formula C18H28FNO2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol
PubChem CID22413641
Molecular FormulaC18H28FNO2
Molecular Weight309.42 g/mol
Exact Mass309.21
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol
SMILESCC(O)C(CCc1ccc(F)cc1)C(C)(O)N1CCCCC1
InChIInChI=1S/C18H28FNO2/c1-14(21)17(11-8-15-6-9-16(19)10-7-15)18(2,22)20-12-4-3-5-13-20/h6-7,9-10,14,17,21-22H,3-5,8,11-13H2,1-2H3
InChIKeyDRDLCQOTMDFLHX-UHFFFAOYSA-N
XLogP2.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol (CID 22413641) is 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol is CC(O)C(CCc1ccc(F)cc1)C(C)(O)N1CCCCC1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
The InChIKey is DRDLCQOTMDFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO2/c1-14(21)17(11-8-15-6-9-16(19)10-7-15)18(2,22)20-12-4-3-5-13-20/h6-7,9-10,14,17,21-22H,3-5,8,11-13H2,1-2H3.
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol?
3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol has a molecular weight of 309.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-2-piperidin-1-ylpentane-2,4-diol is sourced from PubChem (CID 22413641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).