ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate

C15H21FN2O3 — CID 110887601

IUPACethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)11-14(19)12-5-3-4-6-13(12)16/h3-6,14,19H,2,7-11H2,1H3
InChIKeyCBDBTVVPNSXHFY-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.63
Rot. Bonds4

About ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate

ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate (PubChem CID 110887601) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
PubChem CID110887601
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Nameethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)11-14(19)12-5-3-4-6-13(12)16/h3-6,14,19H,2,7-11H2,1H3
InChIKeyCBDBTVVPNSXHFY-UHFFFAOYSA-N
XLogP1.63
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
4-[2-(2-fluorophenyl)-2-hydroxyethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110889743
ethyl 4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 110887734
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750499
ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 11066955
(1R)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-1-phenylethanol
CID 95319125
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110887602

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate (CID 110887601) is ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)c2ccccc2F)CC1.
What is the InChIKey of ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The InChIKey is CBDBTVVPNSXHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)11-14(19)12-5-3-4-6-13(12)16/h3-6,14,19H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate has a molecular weight of 296.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate is sourced from PubChem (CID 110887601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).