2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate

C19H22FN3O2 — CID 141044311

IUPAC2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(c2ccc(-c3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN3O2/c1-15(24)25-13-12-22-8-10-23(11-9-22)19-7-6-16(14-21-19)17-4-2-3-5-18(17)20/h2-7,14H,8-13H2,1H3
InChIKeyYZSDDUDHAGZWRK-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate

2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate (PubChem CID 141044311) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate
PubChem CID141044311
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(c2ccc(-c3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN3O2/c1-15(24)25-13-12-22-8-10-23(11-9-22)19-7-6-16(14-21-19)17-4-2-3-5-18(17)20/h2-7,14H,8-13H2,1H3
InChIKeyYZSDDUDHAGZWRK-UHFFFAOYSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
CID 141044306
1-chloroethyl 4-[5-(2-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 141044300
1-(2-methoxyethyl)-4-[5-(2,3,5-trifluoro-4-methylphenyl)-2-pyridinyl]piperazine
CID 87767079
1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 15951455
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene
CID 19776556
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-4-ethylbenzene;dihydrochloride
CID 19776582
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1-chloro-2-ethylbenzene
CID 19776566
ethyl 6-[4-(3-phenoxypropyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55579197
3-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 37408899
5-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
CID 136528451
1-[4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazin-1-yl]propan-2-one
CID 58006657

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate (CID 141044311) is 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(c2ccc(-c3ccccc3F)cn2)CC1.
What is the InChIKey of 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate?
The InChIKey is YZSDDUDHAGZWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-15(24)25-13-12-22-8-10-23(11-9-22)19-7-6-16(14-21-19)17-4-2-3-5-18(17)20/h2-7,14H,8-13H2,1H3.
What are the key properties of 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate?
2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate has a molecular weight of 343.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]ethyl acetate is sourced from PubChem (CID 141044311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).