[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone

C18H21FN2O4 — CID 34955644

IUPAC[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O4/c19-15-1-3-17(4-2-15)25-13-16(22)11-20-6-8-21(9-7-20)18(23)14-5-10-24-12-14/h1-5,10,12,16,22H,6-9,11,13H2/t16-/m1/s1
InChIKeyZKPPUXQPRCMEMX-MRXNPFEDSA-N
MW348.37 g/mol
LogP1.62
Rot. Bonds6

About [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 34955644) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID34955644
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN2O4/c19-15-1-3-17(4-2-15)25-13-16(22)11-20-6-8-21(9-7-20)18(23)14-5-10-24-12-14/h1-5,10,12,16,22H,6-9,11,13H2/t16-/m1/s1
InChIKeyZKPPUXQPRCMEMX-MRXNPFEDSA-N
XLogP1.62
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
2-(4-fluorophenyl)-1-[4-[2-hydroxy-3-(4-methylphenoxy)propyl]piperazin-1-yl]ethanone
CID 46445331
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
1-[4-[3-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 46596157
[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 46596156
1-(4-chlorophenoxy)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3859453
(3-aminophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone
CID 119881234
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
(2S)-1-(4-bromophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 34066082
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 71930814

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 34955644) is [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is ZKPPUXQPRCMEMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21FN2O4/c19-15-1-3-17(4-2-15)25-13-16(22)11-20-6-8-21(9-7-20)18(23)14-5-10-24-12-14/h1-5,10,12,16,22H,6-9,11,13H2/t16-/m1/s1.
What are the key properties of [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 348.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 34955644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).