4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

C19H23ClN2O3 — CID 1377032

IUPAC4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1O
InChIInChI=1S/C19H23ClN2O3/c1-24-17-10-14(11-18(25-2)19(17)23)13-21-6-8-22(9-7-21)16-5-3-4-15(20)12-16/h3-5,10-12,23H,6-9,13H2,1-2H3
InChIKeyPPJAAQMEIAVHPW-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.38
Rot. Bonds5

About 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 1377032) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID1377032
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1O
InChIInChI=1S/C19H23ClN2O3/c1-24-17-10-14(11-18(25-2)19(17)23)13-21-6-8-22(9-7-21)16-5-3-4-15(20)12-16/h3-5,10-12,23H,6-9,13H2,1-2H3
InChIKeyPPJAAQMEIAVHPW-UHFFFAOYSA-N
XLogP3.38
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-6-nitrophenol
CID 1376971
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 1067956
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine
CID 171909306
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 1377032) is 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1O.
What is the InChIKey of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is PPJAAQMEIAVHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-17-10-14(11-18(25-2)19(17)23)13-21-6-8-22(9-7-21)16-5-3-4-15(20)12-16/h3-5,10-12,23H,6-9,13H2,1-2H3.
What are the key properties of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 362.86 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 1377032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).