1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine

C21H28N2 — CID 1378378

IUPAC1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESC[C@H](CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3/t19-/m1/s1
InChIKeyIUZWDIZPXUMNAD-LJQANCHMSA-N
MW308.47 g/mol
LogP3.83
Rot. Bonds6

About 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine

1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine (PubChem CID 1378378) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
PubChem CID1378378
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
SMILESC[C@H](CCc1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3/t19-/m1/s1
InChIKeyIUZWDIZPXUMNAD-LJQANCHMSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
(2R)-2-(4-benzylpiperazin-1-yl)propan-1-ol
CID 129395668
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336
3-(4-benzylpiperazin-1-yl)butanenitrile
CID 54946270
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
CID 55917102
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
N-(4-chlorophenyl)-1-(4-phenylbutan-2-yl)piperidin-4-amine
CID 4005434

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The IUPAC name of 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine (CID 1378378) is 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The canonical SMILES for 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine is C[C@H](CCc1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
The InChIKey is IUZWDIZPXUMNAD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N2/c1-19(12-13-20-8-4-2-5-9-20)23-16-14-22(15-17-23)18-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3/t19-/m1/s1.
What are the key properties of 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine?
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine has a molecular weight of 308.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine is sourced from PubChem (CID 1378378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).