1-(4-chloro-3-methoxyphenyl)piperazine;propane

C14H23ClN2O — CID 145414306

IUPAC1-(4-chloro-3-methoxyphenyl)piperazine;propane
SMILESCCC.COc1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O.C3H8/c1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-3-2/h2-3,8,13H,4-7H2,1H3;3H2,1-2H3
InChIKeyPKZFMQVTBJWHHV-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.17
Rot. Bonds2

About 1-(4-chloro-3-methoxyphenyl)piperazine;propane

1-(4-chloro-3-methoxyphenyl)piperazine;propane (PubChem CID 145414306) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)piperazine;propane.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)piperazine;propane
PubChem CID145414306
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-(4-chloro-3-methoxyphenyl)piperazine;propane
SMILESCCC.COc1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O.C3H8/c1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-3-2/h2-3,8,13H,4-7H2,1H3;3H2,1-2H3
InChIKeyPKZFMQVTBJWHHV-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
1-(4-chloro-3-methoxyphenyl)-3-methylpiperazine;dihydrochloride
CID 67103597
2-methoxy-4-piperazin-1-ylphenol
CID 24820540
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
CID 143061676
1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
1-(4-chloro-3-methoxyphenyl)-3-ethyl-3-methyl-1,4-diazepane
CID 107623388
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
(E)-[4-(4-chloro-3-methoxyphenyl)piperazin-2-ylidene]methanol
CID 70829622

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)piperazine;propane?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)piperazine;propane (CID 145414306) is 1-(4-chloro-3-methoxyphenyl)piperazine;propane.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)piperazine;propane?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)piperazine;propane is CCC.COc1cc(N2CCNCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)piperazine;propane?
The InChIKey is PKZFMQVTBJWHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.C3H8/c1-15-11-8-9(2-3-10(11)12)14-6-4-13-5-7-14;1-3-2/h2-3,8,13H,4-7H2,1H3;3H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)piperazine;propane?
1-(4-chloro-3-methoxyphenyl)piperazine;propane has a molecular weight of 270.80 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)piperazine;propane is sourced from PubChem (CID 145414306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).