2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride

C17H21ClFN3O — CID 18403791

IUPAC2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride
SMILESCC(c1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-13(14-5-6-16(22)15(18)12-14)20-8-10-21(11-9-20)17-4-2-3-7-19-17;/h2-7,12-13,22H,8-11H2,1H3;1H
InChIKeyDQUXFVLZKCWOHR-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.23
Rot. Bonds3

About 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride

2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride (PubChem CID 18403791) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride
PubChem CID18403791
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride
SMILESCC(c1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-13(14-5-6-16(22)15(18)12-14)20-8-10-21(11-9-20)17-4-2-3-7-19-17;/h2-7,12-13,22H,8-11H2,1H3;1H
InChIKeyDQUXFVLZKCWOHR-UHFFFAOYSA-N
XLogP3.23
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 22683858
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163
N'-[(3-fluoro-4-hydroxyphenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 75468371
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
2-fluoro-3-[[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]methyl]phenol
CID 167988142
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 48846750
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride?
The IUPAC name of 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride (CID 18403791) is 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride?
The canonical SMILES for 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride is CC(c1ccc(O)c(F)c1)N1CCN(c2ccccn2)CC1.Cl.
What is the InChIKey of 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride?
The InChIKey is DQUXFVLZKCWOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O.ClH/c1-13(14-5-6-16(22)15(18)12-14)20-8-10-21(11-9-20)17-4-2-3-7-19-17;/h2-7,12-13,22H,8-11H2,1H3;1H.
What are the key properties of 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride?
2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 18403791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).