[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

C16H22FN3O3 — CID 42634359

IUPAC[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
SMILESO=C(OC[C@@H]1COCCN1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O3/c17-13-1-3-15(4-2-13)19-6-8-20(9-7-19)16(21)23-12-14-11-22-10-5-18-14/h1-4,14,18H,5-12H2/t14-/m0/s1
InChIKeyKLPAHFQIJHFKLX-AWEZNQCLSA-N
MW323.37 g/mol
LogP1.07
Rot. Bonds3

About [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate (PubChem CID 42634359) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
PubChem CID42634359
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
SMILESO=C(OC[C@@H]1COCCN1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FN3O3/c17-13-1-3-15(4-2-13)19-6-8-20(9-7-19)16(21)23-12-14-11-22-10-5-18-14/h1-4,14,18H,5-12H2/t14-/m0/s1
InChIKeyKLPAHFQIJHFKLX-AWEZNQCLSA-N
XLogP1.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The IUPAC name of [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate (CID 42634359) is [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate is O=C(OC[C@@H]1COCCN1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The InChIKey is KLPAHFQIJHFKLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22FN3O3/c17-13-1-3-15(4-2-13)19-6-8-20(9-7-19)16(21)23-12-14-11-22-10-5-18-14/h1-4,14,18H,5-12H2/t14-/m0/s1.
What are the key properties of [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate has a molecular weight of 323.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 42634359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).