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

C16H26ClN3 — CID 62909682

IUPAC1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
SMILESCCCN1CCN(c2ccc(C(C)NC)cc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-4-7-19-8-10-20(11-9-19)16-6-5-14(12-15(16)17)13(2)18-3/h5-6,12-13,18H,4,7-11H2,1-3H3
InChIKeyPPZBINMQJIZRLM-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.15
Rot. Bonds5

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

1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine (PubChem CID 62909682) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
PubChem CID62909682
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine
SMILESCCCN1CCN(c2ccc(C(C)NC)cc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-4-7-19-8-10-20(11-9-19)16-6-5-14(12-15(16)17)13(2)18-3/h5-6,12-13,18H,4,7-11H2,1-3H3
InChIKeyPPZBINMQJIZRLM-UHFFFAOYSA-N
XLogP3.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.15
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-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 55131292
1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 43284384
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]propan-2-amine
CID 81165760
1-[3-chloro-4-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-N-methylethanamine
CID 62910990
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
1-[3-chloro-4-(4,4-dimethylazepan-1-yl)phenyl]-N-methylethanamine
CID 65280960
N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479
4-[2-chloro-4-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
CID 66084332
(1R)-1-[3-chloro-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanol
CID 63371719
3-chloro-4-(4-propylpiperazin-1-yl)benzenecarbothioamide
CID 63087443
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-propylpiperazin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine (CID 62909682) is 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine is CCCN1CCN(c2ccc(C(C)NC)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is PPZBINMQJIZRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-4-7-19-8-10-20(11-9-19)16-6-5-14(12-15(16)17)13(2)18-3/h5-6,12-13,18H,4,7-11H2,1-3H3.
What are the key properties of 1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine?
1-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 295.86 g/mol, XLogP of 3.15, 5 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-propylpiperazin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 62909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).