(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone

C16H23FN2O3 — CID 95345550

IUPAC(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)cc2F)CC1
InChIInChI=1S/C16H23FN2O3/c1-3-12(20)11-18-6-8-19(9-7-18)16(21)14-5-4-13(22-2)10-15(14)17/h4-5,10,12,20H,3,6-9,11H2,1-2H3/t12-/m1/s1
InChIKeyWDLDVZOOOYAOTK-GFCCVEGCSA-N
MW310.37 g/mol
LogP1.36
Rot. Bonds5

About (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone

(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (PubChem CID 95345550) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
PubChem CID95345550
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
SMILESCC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)cc2F)CC1
InChIInChI=1S/C16H23FN2O3/c1-3-12(20)11-18-6-8-19(9-7-18)16(21)14-5-4-13(22-2)10-15(14)17/h4-5,10,12,20H,3,6-9,11H2,1-2H3/t12-/m1/s1
InChIKeyWDLDVZOOOYAOTK-GFCCVEGCSA-N
XLogP1.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135
(4-chloro-2-methoxyphenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 167937294
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid
CID 154746368
(2,4-dimethoxyphenyl)-[4-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]piperazin-1-yl]methanone
CID 124861261
(2,4-difluorophenyl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95328976
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
(2-fluoro-4-methoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 32966118
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
(2-fluoro-4-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181646
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone (CID 95345550) is (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone is CC[C@@H](O)CN1CCN(C(=O)c2ccc(OC)cc2F)CC1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
The InChIKey is WDLDVZOOOYAOTK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-3-12(20)11-18-6-8-19(9-7-18)16(21)14-5-4-13(22-2)10-15(14)17/h4-5,10,12,20H,3,6-9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone?
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone has a molecular weight of 310.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95345550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).