1-benzyl-4-(2-butan-2-ylphenyl)piperazine

C21H28N2 — CID 143140326

IUPAC1-benzyl-4-(2-butan-2-ylphenyl)piperazine
SMILESCCC(C)c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-3-18(2)20-11-7-8-12-21(20)23-15-13-22(14-16-23)17-19-9-5-4-6-10-19/h4-12,18H,3,13-17H2,1-2H3
InChIKeyWVFVMQZYVSVCQN-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.52
Rot. Bonds5

About 1-benzyl-4-(2-butan-2-ylphenyl)piperazine

1-benzyl-4-(2-butan-2-ylphenyl)piperazine (PubChem CID 143140326) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-benzyl-4-(2-butan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2-butan-2-ylphenyl)piperazine
PubChem CID143140326
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-benzyl-4-(2-butan-2-ylphenyl)piperazine
SMILESCCC(C)c1ccccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2/c1-3-18(2)20-11-7-8-12-21(20)23-15-13-22(14-16-23)17-19-9-5-4-6-10-19/h4-12,18H,3,13-17H2,1-2H3
InChIKeyWVFVMQZYVSVCQN-UHFFFAOYSA-N
XLogP4.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)phenyl]ethane-1,2-diamine
CID 170894568
1-(2-butan-2-ylphenyl)piperidin-4-one
CID 131843613
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2S)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol
CID 30687450
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-[(2R)-butan-2-yl]phenoxy]propan-2-ol
CID 30687421
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
(1R)-1-[2-[4-(2-methylpropyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103960079

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-butan-2-ylphenyl)piperazine?
The IUPAC name of 1-benzyl-4-(2-butan-2-ylphenyl)piperazine (CID 143140326) is 1-benzyl-4-(2-butan-2-ylphenyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2-butan-2-ylphenyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2-butan-2-ylphenyl)piperazine is CCC(C)c1ccccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(2-butan-2-ylphenyl)piperazine?
The InChIKey is WVFVMQZYVSVCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-3-18(2)20-11-7-8-12-21(20)23-15-13-22(14-16-23)17-19-9-5-4-6-10-19/h4-12,18H,3,13-17H2,1-2H3.
What are the key properties of 1-benzyl-4-(2-butan-2-ylphenyl)piperazine?
1-benzyl-4-(2-butan-2-ylphenyl)piperazine has a molecular weight of 308.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-butan-2-ylphenyl)piperazine is sourced from PubChem (CID 143140326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).