3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one

C16H23ClN2O2 — CID 94719688

IUPAC3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-13(20)12-18-8-10-19(11-9-18)16(21)7-6-14-4-2-3-5-15(14)17/h2-5,13,20H,6-12H2,1H3/t13-/m1/s1
InChIKeyWGNZEMZGPNJUSH-CYBMUJFWSA-N
MW310.82 g/mol
LogP1.80
Rot. Bonds5

About 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one

3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (PubChem CID 94719688) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
PubChem CID94719688
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
SMILESC[C@@H](O)CN1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O2/c1-13(20)12-18-8-10-19(11-9-18)16(21)7-6-14-4-2-3-5-15(14)17/h2-5,13,20H,6-12H2,1H3/t13-/m1/s1
InChIKeyWGNZEMZGPNJUSH-CYBMUJFWSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
CID 51252212
3-(2-chlorophenyl)-1-[4-(3-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]propan-1-one
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3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
1-[4-[3-(2-chlorophenyl)propanoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564526
3-(2-aminophenyl)-1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120613040
2-(2-chlorophenyl)-1-[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 97038805
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
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3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
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3-(2-chlorophenyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 37350811
3-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95759398
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one (CID 94719688) is 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one is C[C@@H](O)CN1CCN(C(=O)CCc2ccccc2Cl)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
The InChIKey is WGNZEMZGPNJUSH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-13(20)12-18-8-10-19(11-9-18)16(21)7-6-14-4-2-3-5-15(14)17/h2-5,13,20H,6-12H2,1H3/t13-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one?
3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one has a molecular weight of 310.82 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 94719688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).