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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Related Compounds

4-[1-[4-(3-piperidin-1-ylpropyl)phenyl]propan-2-yl]-3-propylaniline
CID 142017524
1-[3-(4-ethyl-2,3-difluorophenyl)propyl]piperidine
CID 166651415
2-ethoxy-4-(3-pyrrolidin-1-ylpropyl)phenol
CID 129295645
(2S)-2-amino-3-[4-(2-oxo-3-phenylpropyl)phenyl]propanoic acid;(2R)-2-amino-3-[4-(2-oxo-3-phenylpropyl)phenyl]propanoic acid;bis((2S)-2-amino-3-[4-(3-piperidin-1-ylpropyl)phenyl]propanoic acid);bis((2R)-2-amino-3-[4-(3-piperidin-1-ylpropyl)phenyl]propanoic acid)
CID 160557360
1-[3-(4-methoxyphenyl)propyl]piperidine
CID 42640027
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
CID 153405634
methyl 4-(3-pyrrolidin-1-ylpropyl)benzoate
CID 10658147
5-[3-(4-ethylphenyl)propyl]-2-(piperidin-1-ylmethyl)phenol
CID 122184327
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
2-methyl-1-[4-[4-[4-(4-piperidin-1-ylbutyl)phenyl]piperazine-1-carbonyl]piperazin-1-yl]propan-1-one
CID 142884733
(6-hydroxy-2-propan-2-yl-1-benzothiophen-3-yl)-[4-(4-pyrrolidin-1-ylbutyl)phenyl]methanone
CID 19424261
4-[1-(3-pyrrolidin-1-ylpropylamino)ethyl]benzene-1,3-diol
CID 43203858

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).