1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride

C26H30Cl2N2O2 — CID 139896933

IUPAC1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride
SMILESCc1ccccc1N1CCN(Cc2ccccc2OC(Cl)OCc2ccccc2)CC1.Cl
InChIInChI=1S/C26H29ClN2O2.ClH/c1-21-9-5-7-13-24(21)29-17-15-28(16-18-29)19-23-12-6-8-14-25(23)31-26(27)30-20-22-10-3-2-4-11-22;/h2-14,26H,15-20H2,1H3;1H
InChIKeyGOSYSDUKZILWFJ-UHFFFAOYSA-N
MW473.44 g/mol
LogP5.86
Rot. Bonds8

About 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride

1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride (PubChem CID 139896933) has the molecular formula C26H30Cl2N2O2 and a molecular weight of 473.44 g/mol. Its IUPAC name is 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride
PubChem CID139896933
Molecular FormulaC26H30Cl2N2O2
Molecular Weight473.44 g/mol
Exact Mass472.17
IUPAC Name1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride
SMILESCc1ccccc1N1CCN(Cc2ccccc2OC(Cl)OCc2ccccc2)CC1.Cl
InChIInChI=1S/C26H29ClN2O2.ClH/c1-21-9-5-7-13-24(21)29-17-15-28(16-18-29)19-23-12-6-8-14-25(23)31-26(27)30-20-22-10-3-2-4-11-22;/h2-14,26H,15-20H2,1H3;1H
InChIKeyGOSYSDUKZILWFJ-UHFFFAOYSA-N
XLogP5.86
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
1-(2-nitrophenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 60538847
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
1-(2,3-dimethylphenyl)-4-[[2-(2-methoxyphenyl)sulfanylphenyl]methyl]piperazine
CID 141087065
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-benzyl-4-[2-(methoxymethyl)phenyl]piperazine;1-[2-(methoxymethyl)phenyl]piperazine
CID 159879194

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride (CID 139896933) is 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride is Cc1ccccc1N1CCN(Cc2ccccc2OC(Cl)OCc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride?
The InChIKey is GOSYSDUKZILWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O2.ClH/c1-21-9-5-7-13-24(21)29-17-15-28(16-18-29)19-23-12-6-8-14-25(23)31-26(27)30-20-22-10-3-2-4-11-22;/h2-14,26H,15-20H2,1H3;1H.
What are the key properties of 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride?
1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride has a molecular weight of 473.44 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[chloro(phenylmethoxy)methoxy]phenyl]methyl]-4-(2-methylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 139896933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).