2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

C15H24ClN3 — CID 114537191

IUPAC2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)cc2)CC(C)N1C
InChIInChI=1S/C15H24ClN3/c1-11-9-19(10-12(2)18(11)3)15(8-17)13-4-6-14(16)7-5-13/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyASEYNLBCUSFCPG-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.36
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine

2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (PubChem CID 114537191) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
PubChem CID114537191
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(C(CN)c2ccc(Cl)cc2)CC(C)N1C
InChIInChI=1S/C15H24ClN3/c1-11-9-19(10-12(2)18(11)3)15(8-17)13-4-6-14(16)7-5-13/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyASEYNLBCUSFCPG-UHFFFAOYSA-N
XLogP2.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605366
2-(furan-3-yl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537409
2-(3,4-dimethylpyrrolidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 79188487
2-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanamine
CID 81145379
2-(4-chloro-3-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605224
2-(3,5-dichlorophenyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 63605245
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 51698188
2-(3,4-dimethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanamine
CID 63605581
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
2-(2-ethylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537626

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine (CID 114537191) is 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is CC1CN(C(CN)c2ccc(Cl)cc2)CC(C)N1C.
What is the InChIKey of 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
The InChIKey is ASEYNLBCUSFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-11-9-19(10-12(2)18(11)3)15(8-17)13-4-6-14(16)7-5-13/h4-7,11-12,15H,8-10,17H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine?
2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine has a molecular weight of 281.83 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 114537191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).