1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine

C20H24ClN3 — CID 174382709

IUPAC1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine
SMILESCN1CCN(c2cccc(Cl)c2)CC1.Nc1ccc2c(c1)C1CC21
InChIInChI=1S/C11H15ClN2.C9H9N/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11;10-5-1-2-6-7(3-5)9-4-8(6)9/h2-4,9H,5-8H2,1H3;1-3,8-9H,4,10H2
InChIKeyCWVAFOKOGLNJMC-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.95
Rot. Bonds1

About 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine

1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine (PubChem CID 174382709) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine
PubChem CID174382709
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine
SMILESCN1CCN(c2cccc(Cl)c2)CC1.Nc1ccc2c(c1)C1CC21
InChIInChI=1S/C11H15ClN2.C9H9N/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11;10-5-1-2-6-7(3-5)9-4-8(6)9/h2-4,9H,5-8H2,1H3;1-3,8-9H,4,10H2
InChIKeyCWVAFOKOGLNJMC-UHFFFAOYSA-N
XLogP3.95
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
1-(3-chlorophenyl)azonane
CID 145391535
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
3-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]aniline
CID 175775411
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
(E)-3-(4-aminophenyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84552178

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine (CID 174382709) is 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine is CN1CCN(c2cccc(Cl)c2)CC1.Nc1ccc2c(c1)C1CC21.
What is the InChIKey of 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine?
The InChIKey is CWVAFOKOGLNJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.C9H9N/c1-13-5-7-14(8-6-13)11-4-2-3-10(12)9-11;10-5-1-2-6-7(3-5)9-4-8(6)9/h2-4,9H,5-8H2,1H3;1-3,8-9H,4,10H2.
What are the key properties of 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine?
1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine has a molecular weight of 341.89 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-methylpiperazine;tricyclo[4.3.0.07,9]nona-1(6),2,4-trien-3-amine is sourced from PubChem (CID 174382709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).