1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine

C21H28N2O — CID 175322181

IUPAC1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
SMILESCC(C)CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C21H28N2O/c1-18(2)16-22-11-13-23(14-12-22)17-19-7-6-10-21(15-19)24-20-8-4-3-5-9-20/h3-10,15,18H,11-14,16-17H2,1-2H3
InChIKeyZFLPLLHQSRKDAX-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.25
Rot. Bonds6

About 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine

1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine (PubChem CID 175322181) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
PubChem CID175322181
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
SMILESCC(C)CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C21H28N2O/c1-18(2)16-22-11-13-23(14-12-22)17-19-7-6-10-21(15-19)24-20-8-4-3-5-9-20/h3-10,15,18H,11-14,16-17H2,1-2H3
InChIKeyZFLPLLHQSRKDAX-UHFFFAOYSA-N
XLogP4.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
1-[(3-methylphenyl)methyl]-4-(2-methylpropyl)piperazine
CID 45366485
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid
CID 62777259
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-(4-benzylpiperazin-1-yl)propane-2-thiol
CID 88685831
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
1-(2,3-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazine;oxalic acid
CID 163327642
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine (CID 175322181) is 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine is CC(C)CN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine?
The InChIKey is ZFLPLLHQSRKDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-18(2)16-22-11-13-23(14-12-22)17-19-7-6-10-21(15-19)24-20-8-4-3-5-9-20/h3-10,15,18H,11-14,16-17H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine?
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine is sourced from PubChem (CID 175322181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).