2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine

C16H26ClN3 — CID 61429571

IUPAC2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
SMILESCC(C)(C)N1CCN(C(CN)c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-16(2,3)20-10-8-19(9-11-20)15(12-18)13-6-4-5-7-14(13)17/h4-7,15H,8-12,18H2,1-3H3
InChIKeyAQWFIUAJDCXMAS-UHFFFAOYSA-N
MW295.86 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine

2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine (PubChem CID 61429571) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
PubChem CID61429571
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
SMILESCC(C)(C)N1CCN(C(CN)c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3/c1-16(2,3)20-10-8-19(9-11-20)15(12-18)13-6-4-5-7-14(13)17/h4-7,15H,8-12,18H2,1-3H3
InChIKeyAQWFIUAJDCXMAS-UHFFFAOYSA-N
XLogP2.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
2-(azepan-1-yl)-2-(2-chlorophenyl)ethanamine;oxalic acid
CID 45075213
2-(3-chloro-2-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 114487782
2-(3-bromophenyl)-2-(4-tert-butylpiperazin-1-yl)ethanamine
CID 61429621
2-(4-tert-butylpiperazin-1-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 61429525
2-(2-chlorophenyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 16788536
2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62778142
N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 112504694
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
2-(azepan-1-yl)-2-(2-ethylphenyl)ethanamine
CID 62392801
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine (CID 61429571) is 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine is CC(C)(C)N1CCN(C(CN)c2ccccc2Cl)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is AQWFIUAJDCXMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-16(2,3)20-10-8-19(9-11-20)15(12-18)13-6-4-5-7-14(13)17/h4-7,15H,8-12,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine?
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 295.86 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 61429571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).