1-(3-methyl-4-phenylmethoxyphenyl)piperazine

C18H22N2O — CID 54155673

IUPAC1-(3-methyl-4-phenylmethoxyphenyl)piperazine
SMILESCc1cc(N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15-13-17(20-11-9-19-10-12-20)7-8-18(15)21-14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3
InChIKeyOKWGMXISYAIOMR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-methyl-4-phenylmethoxyphenyl)piperazine

1-(3-methyl-4-phenylmethoxyphenyl)piperazine (PubChem CID 54155673) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylmethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(3-methyl-4-phenylmethoxyphenyl)piperazine
PubChem CID54155673
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(3-methyl-4-phenylmethoxyphenyl)piperazine
SMILESCc1cc(N2CCNCC2)ccc1OCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15-13-17(20-11-9-19-10-12-20)7-8-18(15)21-14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3
InChIKeyOKWGMXISYAIOMR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)piperazine
CID 269722
N-[4-(benzyloxy)phenyl]glycinamide
CID 22690393
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
CID 44129620
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
1-((2,6-Dimethylphenoxy)propyl)-4-(2-methoxyphenyl)piperazine hydrochloride
CID 54598062
4-(((2-(Benzyloxy)phenyl)methyl)amino)phenol
CID 833990
1-(4-Phenoxyphenyl)piperazine
CID 3017356
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine?
The IUPAC name of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine (CID 54155673) is 1-(3-methyl-4-phenylmethoxyphenyl)piperazine.
What is the SMILES notation for 1-(3-methyl-4-phenylmethoxyphenyl)piperazine?
The canonical SMILES for 1-(3-methyl-4-phenylmethoxyphenyl)piperazine is Cc1cc(N2CCNCC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine?
The InChIKey is OKWGMXISYAIOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-13-17(20-11-9-19-10-12-20)7-8-18(15)21-14-16-5-3-2-4-6-16/h2-8,13,19H,9-12,14H2,1H3.
What are the key properties of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine?
1-(3-methyl-4-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-(3-methyl-4-phenylmethoxyphenyl)piperazine is sourced from PubChem (CID 54155673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).