[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

C17H23FN2O3 — CID 58156501

IUPAC[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
SMILESO=C(OC[C@@H]1CCCOC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O3/c18-15-3-5-16(6-4-15)19-7-9-20(10-8-19)17(21)23-13-14-2-1-11-22-12-14/h3-6,14H,1-2,7-13H2/t14-/m1/s1
InChIKeySBZOJYZVRLDEOO-CQSZACIVSA-N
MW322.38 g/mol
LogP2.51
Rot. Bonds3

About [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate

[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate (PubChem CID 58156501) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
PubChem CID58156501
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
SMILESO=C(OC[C@@H]1CCCOC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O3/c18-15-3-5-16(6-4-15)19-7-9-20(10-8-19)17(21)23-13-14-2-1-11-22-12-14/h3-6,14H,1-2,7-13H2/t14-/m1/s1
InChIKeySBZOJYZVRLDEOO-CQSZACIVSA-N
XLogP2.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110853314
[(3S)-morpholin-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 42634359
4-(4-fluorophenyl)-N'-(oxan-3-ylmethyl)piperazine-1-carboximidamide
CID 119119749
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
CID 42634521
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-morpholin-3-ylethanone
CID 70766726
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The IUPAC name of [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate (CID 58156501) is [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate is O=C(OC[C@@H]1CCCOC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
The InChIKey is SBZOJYZVRLDEOO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23FN2O3/c18-15-3-5-16(6-4-15)19-7-9-20(10-8-19)17(21)23-13-14-2-1-11-22-12-14/h3-6,14H,1-2,7-13H2/t14-/m1/s1.
What are the key properties of [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate?
[(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate has a molecular weight of 322.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxan-3-yl]methyl 4-(4-fluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 58156501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).