1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine

C14H22ClN3 — CID 55131292

IUPAC1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-11(16-2)12-4-5-14(13(15)10-12)18-8-6-17(3)7-9-18/h4-5,10-11,16H,6-9H2,1-3H3
InChIKeyOEEJJQQWXCMXHW-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.37
Rot. Bonds3

About 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine

1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine (PubChem CID 55131292) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
PubChem CID55131292
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(N2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C14H22ClN3/c1-11(16-2)12-4-5-14(13(15)10-12)18-8-6-17(3)7-9-18/h4-5,10-11,16H,6-9H2,1-3H3
InChIKeyOEEJJQQWXCMXHW-UHFFFAOYSA-N
XLogP2.37
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 62909682
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
1-[3-chloro-4-(4,4-dimethylazepan-1-yl)phenyl]-N-methylethanamine
CID 65280960
4-[2-chloro-4-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
CID 66084332
1-[3-chloro-4-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-N-methylethanamine
CID 62910990
methyl 2-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-hydroxyacetate
CID 117481301
1-[3-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 107393135
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369
1-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 62908297
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 81150963
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]-N-methylethanamine
CID 104690188
1-[4-[2-chloro-4-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 62907806

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine (CID 55131292) is 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(N2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is OEEJJQQWXCMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-11(16-2)12-4-5-14(13(15)10-12)18-8-6-17(3)7-9-18/h4-5,10-11,16H,6-9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine?
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 267.80 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 55131292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).