[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone

C16H23FN2O3 — CID 95322537

IUPAC[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-22-12-15(20)11-18-7-9-19(10-8-18)16(21)13-3-5-14(17)6-4-13/h3-6,15,20H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyHNULEOAEHNCRFP-OAHLLOKOSA-N
MW310.37 g/mol
LogP0.98
Rot. Bonds6

About [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 95322537) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID95322537
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3/c1-2-22-12-15(20)11-18-7-9-19(10-8-18)16(21)13-3-5-14(17)6-4-13/h3-6,15,20H,2,7-12H2,1H3/t15-/m1/s1
InChIKeyHNULEOAEHNCRFP-OAHLLOKOSA-N
XLogP0.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 95613674
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
(2-chloro-4-fluorophenyl)-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95322496
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 56803163
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
2-[4-(3-ethoxy-2-hydroxypropyl)piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 56803156
2-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazine-1-carbonyl]thiophene-3-carbonitrile
CID 95613707
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 34955644
[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 78849337
1-benzothiophen-2-yl-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95613755
(2R)-1-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95341869

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 95322537) is [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone is CCOC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is HNULEOAEHNCRFP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-2-22-12-15(20)11-18-7-9-19(10-8-18)16(21)13-3-5-14(17)6-4-13/h3-6,15,20H,2,7-12H2,1H3/t15-/m1/s1.
What are the key properties of [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 310.37 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 95322537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).