1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine

C23H32N2O2 — CID 40501303

IUPAC1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
SMILESCCOc1ccccc1N1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H32N2O2/c1-4-27-23-8-6-5-7-22(23)25-17-15-24(16-18-25)19(2)9-10-20-11-13-21(26-3)14-12-20/h5-8,11-14,19H,4,9-10,15-18H2,1-3H3/t19-/m0/s1
InChIKeyBEGOJDQZBKPQOY-IBGZPJMESA-N
MW368.52 g/mol
LogP4.24
Rot. Bonds8

About 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine

1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine (PubChem CID 40501303) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
PubChem CID40501303
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
SMILESCCOc1ccccc1N1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C23H32N2O2/c1-4-27-23-8-6-5-7-22(23)25-17-15-24(16-18-25)19(2)9-10-20-11-13-21(26-3)14-12-20/h5-8,11-14,19H,4,9-10,15-18H2,1-3H3/t19-/m0/s1
InChIKeyBEGOJDQZBKPQOY-IBGZPJMESA-N
XLogP4.24
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
1-(2,5-dimethylphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 7441278
4-(2-ethoxyphenyl)-N-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 60542874
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430394
4-[4-(4-methoxyphenyl)butan-2-yl]morpholine
CID 2846261
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine (CID 40501303) is 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine is CCOc1ccccc1N1CCN([C@@H](C)CCc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
The InChIKey is BEGOJDQZBKPQOY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-27-23-8-6-5-7-22(23)25-17-15-24(16-18-25)19(2)9-10-20-11-13-21(26-3)14-12-20/h5-8,11-14,19H,4,9-10,15-18H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine?
1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine has a molecular weight of 368.52 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 40501303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).