(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one

C22H27ClN2O2 — CID 38016294

IUPAC(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-4-20(27-21-14-16(2)8-9-17(21)3)22(26)25-12-10-24(11-13-25)19-7-5-6-18(23)15-19/h5-9,14-15,20H,4,10-13H2,1-3H3/t20-/m1/s1
InChIKeyRCJFIQPVYGHDKJ-HXUWFJFHSA-N
MW386.92 g/mol
LogP4.46
Rot. Bonds5

About (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one

(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one (PubChem CID 38016294) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
PubChem CID38016294
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
SMILESCC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-4-20(27-21-14-16(2)8-9-17(21)3)22(26)25-12-10-24(11-13-25)19-7-5-6-18(23)15-19/h5-9,14-15,20H,4,10-13H2,1-3H3/t20-/m1/s1
InChIKeyRCJFIQPVYGHDKJ-HXUWFJFHSA-N
XLogP4.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)butan-1-one
CID 38000480
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one
CID 43905979
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethylphenoxy)butan-1-one
CID 92686007
2-(4-chloro-3-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
CID 132662906
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(2,4-dimethylphenoxy)butan-1-one
CID 132661393
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 30388193
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
2-(2,3-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 46772607
1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
CID 92682966
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482
(2R)-N-(3-chlorophenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92681805

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one?
The IUPAC name of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one (CID 38016294) is (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one.
What is the SMILES notation for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one?
The canonical SMILES for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one is CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one?
The InChIKey is RCJFIQPVYGHDKJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-4-20(27-21-14-16(2)8-9-17(21)3)22(26)25-12-10-24(11-13-25)19-7-5-6-18(23)15-19/h5-9,14-15,20H,4,10-13H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one?
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one has a molecular weight of 386.92 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)butan-1-one is sourced from PubChem (CID 38016294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).