1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine

C21H28N2 — CID 174263891

IUPAC1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
SMILESCC(C)Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2/c1-18(2)16-19-8-10-20(11-9-19)17-22-12-14-23(15-13-22)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3
InChIKeyZTFREQAWXZGIRM-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.21
Rot. Bonds5

About 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine

1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine (PubChem CID 174263891) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
PubChem CID174263891
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
SMILESCC(C)Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2/c1-18(2)16-19-8-10-20(11-9-19)17-22-12-14-23(15-13-22)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3
InChIKeyZTFREQAWXZGIRM-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 125161827
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
N-[(2R)-butan-2-yl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1362793
1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 155207572
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
2-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]sulfanyl-1,3-dihydroisoindole
CID 89232133
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine (CID 174263891) is 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine is CC(C)Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine?
The InChIKey is ZTFREQAWXZGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-18(2)16-19-8-10-20(11-9-19)17-22-12-14-23(15-13-22)21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3.
What are the key properties of 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine?
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine has a molecular weight of 308.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 174263891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).