3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol

C24H32FNO — CID 142130440

IUPAC3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol
SMILESCCc1cc(O)ccc1C(F)Cc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C24H32FNO/c1-2-21-18-22(27)12-13-23(21)24(25)17-20-10-8-19(9-11-20)7-6-16-26-14-4-3-5-15-26/h8-13,18,24,27H,2-7,14-17H2,1H3
InChIKeyZKUIVNQTOVKLCO-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.63
Rot. Bonds8

About 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol

3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol (PubChem CID 142130440) has the molecular formula C24H32FNO and a molecular weight of 369.52 g/mol. Its IUPAC name is 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol
PubChem CID142130440
Molecular FormulaC24H32FNO
Molecular Weight369.52 g/mol
Exact Mass369.25
IUPAC Name3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol
SMILESCCc1cc(O)ccc1C(F)Cc1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C24H32FNO/c1-2-21-18-22(27)12-13-23(21)24(25)17-20-10-8-19(9-11-20)7-6-16-26-14-4-3-5-15-26/h8-13,18,24,27H,2-7,14-17H2,1H3
InChIKeyZKUIVNQTOVKLCO-UHFFFAOYSA-N
XLogP5.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol?
The IUPAC name of 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol (CID 142130440) is 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol.
What is the SMILES notation for 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol?
The canonical SMILES for 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol is CCc1cc(O)ccc1C(F)Cc1ccc(CCCN2CCCCC2)cc1.
What is the InChIKey of 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol?
The InChIKey is ZKUIVNQTOVKLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO/c1-2-21-18-22(27)12-13-23(21)24(25)17-20-10-8-19(9-11-20)7-6-16-26-14-4-3-5-15-26/h8-13,18,24,27H,2-7,14-17H2,1H3.
What are the key properties of 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol?
3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol has a molecular weight of 369.52 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-fluoro-2-[4-(3-piperidin-1-ylpropyl)phenyl]ethyl]phenol is sourced from PubChem (CID 142130440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).