2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol

C21H28FN3O — CID 45190210

IUPAC2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccc3cccc(F)c3n2)CCN1C1CCCC1
InChIInChI=1S/C21H28FN3O/c22-20-7-3-4-16-8-9-17(23-21(16)20)14-24-11-12-25(18-5-1-2-6-18)19(15-24)10-13-26/h3-4,7-9,18-19,26H,1-2,5-6,10-15H2
InChIKeyPUZGDDAANIQFGI-UHFFFAOYSA-N
MW357.47 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45190210) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45190210
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccc3cccc(F)c3n2)CCN1C1CCCC1
InChIInChI=1S/C21H28FN3O/c22-20-7-3-4-16-8-9-17(23-21(16)20)14-24-11-12-25(18-5-1-2-6-18)19(15-24)10-13-26/h3-4,7-9,18-19,26H,1-2,5-6,10-15H2
InChIKeyPUZGDDAANIQFGI-UHFFFAOYSA-N
XLogP3.19
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[(8-fluoroquinolin-2-yl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45206867
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 28733081
2-[(2S)-1-cyclopentyl-4-(naphthalen-1-ylmethyl)piperazin-2-yl]ethanol
CID 29215594
2-[1-cyclopentyl-4-[(2,3,6-trifluorophenyl)methyl]piperazin-2-yl]ethanol
CID 45212647
2-[4-[(2,6-difluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 45251201
2-[(2S)-1-cyclopentyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-2-yl]ethanol
CID 30854343
2-[(2R)-1-cyclopentyl-4-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51902901
2-[(2S)-1-cyclopentyl-4-(quinolin-5-ylmethyl)piperazin-2-yl]ethanol
CID 28955815
2-[1-cyclopentyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45242991
2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28735204
4-chloro-2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45204573
2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635497

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol (CID 45190210) is 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2ccc3cccc(F)c3n2)CCN1C1CCCC1.
What is the InChIKey of 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is PUZGDDAANIQFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c22-20-7-3-4-16-8-9-17(23-21(16)20)14-24-11-12-25(18-5-1-2-6-18)19(15-24)10-13-26/h3-4,7-9,18-19,26H,1-2,5-6,10-15H2.
What are the key properties of 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 357.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-[(8-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45190210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).