1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine

C23H32N2O — CID 7441278

IUPAC1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
SMILESCOc1ccc(CC[C@H](C)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C23H32N2O/c1-18-5-6-19(2)23(17-18)25-15-13-24(14-16-25)20(3)7-8-21-9-11-22(26-4)12-10-21/h5-6,9-12,17,20H,7-8,13-16H2,1-4H3/t20-/m0/s1
InChIKeyCZWXGPLPLDRFPU-FQEVSTJZSA-N
MW352.52 g/mol
LogP4.46
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine

1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine (PubChem CID 7441278) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
PubChem CID7441278
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
SMILESCOc1ccc(CC[C@H](C)N2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C23H32N2O/c1-18-5-6-19(2)23(17-18)25-15-13-24(14-16-25)20(3)7-8-21-9-11-22(26-4)12-10-21/h5-6,9-12,17,20H,7-8,13-16H2,1-4H3/t20-/m0/s1
InChIKeyCZWXGPLPLDRFPU-FQEVSTJZSA-N
XLogP4.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1378393
1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 40501303
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
(1S)-1-(2,5-dimethoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanol
CID 52905693
[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
CID 30982517
1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 43812267
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
1-(2,5-dimethylphenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171668291
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443517
1,4-bis[1-(4-methoxyphenyl)pentan-3-yl]piperazine
CID 3064083

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine (CID 7441278) is 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine is COc1ccc(CC[C@H](C)N2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
The InChIKey is CZWXGPLPLDRFPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N2O/c1-18-5-6-19(2)23(17-18)25-15-13-24(14-16-25)20(3)7-8-21-9-11-22(26-4)12-10-21/h5-6,9-12,17,20H,7-8,13-16H2,1-4H3/t20-/m0/s1.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine has a molecular weight of 352.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 7441278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).