1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine

C27H32N2O — CID 174348082

IUPAC1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine
SMILESCCN1CCN(OC(C)(C)c2ccccc2-c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C27H32N2O/c1-4-28-19-20-29(21-26(28)23-15-9-6-10-16-23)30-27(2,3)25-18-12-11-17-24(25)22-13-7-5-8-14-22/h5-18,26H,4,19-21H2,1-3H3
InChIKeyQQBIVXQQRLPDMK-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.90
Rot. Bonds6

About 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine

1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine (PubChem CID 174348082) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine.

Molecular Properties

Compound Name1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine
PubChem CID174348082
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine
SMILESCCN1CCN(OC(C)(C)c2ccccc2-c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C27H32N2O/c1-4-28-19-20-29(21-26(28)23-15-9-6-10-16-23)30-27(2,3)25-18-12-11-17-24(25)22-13-7-5-8-14-22/h5-18,26H,4,19-21H2,1-3H3
InChIKeyQQBIVXQQRLPDMK-UHFFFAOYSA-N
XLogP5.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-methoxy-2-phenylpiperazine
CID 70136749
CID 53230801
CID 53230801
1-ethyl-2-phenyl-4-propan-2-ylpiperazine
CID 138492479
ethane;1-ethyl-4-[(2-methoxy-3-bicyclo[3.1.0]hexa-1,3,5-trienyl)sulfinyl]-2-phenylpiperazine
CID 70136978
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
1-ethyl-2-phenylazepane
CID 59678181
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
(2S,4R)-N,1-diethyl-2-phenylpiperidin-4-amine
CID 165141986
(2S)-2-phenyl-1,4-dipropylpiperazine
CID 124541393
3,3-dimethyl-1-(4-methyl-2-phenylpiperazin-1-yl)butan-2-one
CID 43229060
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine?
The IUPAC name of 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine (CID 174348082) is 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine.
What is the SMILES notation for 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine?
The canonical SMILES for 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine is CCN1CCN(OC(C)(C)c2ccccc2-c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine?
The InChIKey is QQBIVXQQRLPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-4-28-19-20-29(21-26(28)23-15-9-6-10-16-23)30-27(2,3)25-18-12-11-17-24(25)22-13-7-5-8-14-22/h5-18,26H,4,19-21H2,1-3H3.
What are the key properties of 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine?
1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine has a molecular weight of 400.57 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-phenyl-4-[2-(2-phenylphenyl)propan-2-yloxy]piperazine is sourced from PubChem (CID 174348082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).