ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate

C13H17FN2O2 — CID 4179359

IUPACethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
InChIKeyAPMYLJWDJDQZDW-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.10
Rot. Bonds2

About ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate

ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate (PubChem CID 4179359) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
PubChem CID4179359
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nameethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3
InChIKeyAPMYLJWDJDQZDW-UHFFFAOYSA-N
XLogP2.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
ethyl 4-[[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 87015684
ethyl 4-(2-fluoro-4-pyridinyl)piperazine-1-carboxylate
CID 114011876
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072
propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 69479549
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
ethyl 4-[2-[(4-fluorophenyl)methylcarbamoyl]-4-pyridinyl]piperazine-1-carboxylate
CID 109211400
ethyl 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 71921314
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
3-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 64685927

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate (CID 4179359) is ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The InChIKey is APMYLJWDJDQZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-18-13(17)16-9-7-15(8-10-16)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 4179359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).