(2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

C24H32N2O2 — CID 27041686

IUPAC(2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H32N2O2/c1-18-7-6-8-21(17-18)25-13-15-26(16-14-25)23(27)19(2)28-22-11-9-20(10-12-22)24(3,4)5/h6-12,17,19H,13-16H2,1-5H3/t19-/m1/s1
InChIKeyRXBRHSSUESDJAY-LJQANCHMSA-N
MW380.53 g/mol
LogP4.41
Rot. Bonds4

About (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one

(2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 27041686) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
PubChem CID27041686
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C24H32N2O2/c1-18-7-6-8-21(17-18)25-13-15-26(16-14-25)23(27)19(2)28-22-11-9-20(10-12-22)24(3,4)5/h6-12,17,19H,13-16H2,1-5H3/t19-/m1/s1
InChIKeyRXBRHSSUESDJAY-LJQANCHMSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
(2S)-2-(4-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 27041580
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 24697448
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 3321756
2-(4-chloro-3-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 17308649
2-amino-3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 24695341
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenoxy)propan-1-one
CID 27195534
N-[3-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 43034873
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one (CID 27041686) is (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is RXBRHSSUESDJAY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-18-7-6-8-21(17-18)25-13-15-26(16-14-25)23(27)19(2)28-22-11-9-20(10-12-22)24(3,4)5/h6-12,17,19H,13-16H2,1-5H3/t19-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one?
(2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 380.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 27041686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).