1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine

C12H17ClN2O — CID 143061679

IUPAC1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h3-4,9H,5-8H2,1-2H3
InChIKeyOSQDJXCNQJVGOT-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine

1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine (PubChem CID 143061679) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
PubChem CID143061679
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
SMILESCOc1cc(N2CCN(C)CC2)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h3-4,9H,5-8H2,1-2H3
InChIKeyOSQDJXCNQJVGOT-UHFFFAOYSA-N
XLogP2.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)acetaldehyde
CID 87580342
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
(2S)-1-(2-chloroethyl)-4-(4-chloro-3-methoxyphenyl)-2-methylpiperazine
CID 143061845
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
4-(4-chloro-3-methoxyphenyl)-1,2,2,7,7-pentamethyl-1,4-diazepane;hydrochloride
CID 67096258
1-(4-chloro-3-methoxyphenyl)-N-methylpyrrolidin-3-amine
CID 107622018
1-(4-chloro-3-methoxyphenyl)-3-methylpiperazine;dihydrochloride
CID 67103597
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine (CID 143061679) is 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine is COc1cc(N2CCN(C)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine?
The InChIKey is OSQDJXCNQJVGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-14-5-7-15(8-6-14)10-3-4-11(13)12(9-10)16-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine?
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine has a molecular weight of 240.73 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine is sourced from PubChem (CID 143061679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).