1-(2-methyl-3-phenylmethoxyphenyl)piperazine

C18H22N2O — CID 25263303

IUPAC1-(2-methyl-3-phenylmethoxyphenyl)piperazine
SMILESCc1c(OCc2ccccc2)cccc1N1CCNCC1
InChIInChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3
InChIKeyLLKMJMQVKKJDAT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-methyl-3-phenylmethoxyphenyl)piperazine

1-(2-methyl-3-phenylmethoxyphenyl)piperazine (PubChem CID 25263303) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-methyl-3-phenylmethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-methyl-3-phenylmethoxyphenyl)piperazine
PubChem CID25263303
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-methyl-3-phenylmethoxyphenyl)piperazine
SMILESCc1c(OCc2ccccc2)cccc1N1CCNCC1
InChIInChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3
InChIKeyLLKMJMQVKKJDAT-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)piperazine
CID 81430
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperazine
CID 25263305
Ucm1014
CID 121231413
AAE-M-PBP-amine
CID 24763223
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
1-(2-((3-Fluorophenoxy)methyl)phenyl)piperazine
CID 45483467
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
US9205085, Msx-205
CID 23656764
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
Icmt-IN-1
CID 53388524
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3-phenylmethoxyphenyl)piperazine?
The IUPAC name of 1-(2-methyl-3-phenylmethoxyphenyl)piperazine (CID 25263303) is 1-(2-methyl-3-phenylmethoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-methyl-3-phenylmethoxyphenyl)piperazine?
The canonical SMILES for 1-(2-methyl-3-phenylmethoxyphenyl)piperazine is Cc1c(OCc2ccccc2)cccc1N1CCNCC1.
What is the InChIKey of 1-(2-methyl-3-phenylmethoxyphenyl)piperazine?
The InChIKey is LLKMJMQVKKJDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-17(20-12-10-19-11-13-20)8-5-9-18(15)21-14-16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3.
What are the key properties of 1-(2-methyl-3-phenylmethoxyphenyl)piperazine?
1-(2-methyl-3-phenylmethoxyphenyl)piperazine has a molecular weight of 282.39 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-phenylmethoxyphenyl)piperazine is sourced from PubChem (CID 25263303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).