N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline

C16H26ClN3 — CID 62557542

IUPACN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
SMILESCC(C)(C)N1CCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H26ClN3/c1-16(2,3)20-12-10-19(11-13-20)9-8-18-15-6-4-14(17)5-7-15/h4-7,18H,8-13H2,1-3H3
InChIKeyQQFIDJWMCJOQPB-UHFFFAOYSA-N
MW295.86 g/mol
LogP3.17
Rot. Bonds4

About N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline

N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline (PubChem CID 62557542) has the molecular formula C16H26ClN3 and a molecular weight of 295.86 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
PubChem CID62557542
Molecular FormulaC16H26ClN3
Molecular Weight295.86 g/mol
Exact Mass295.18
IUPAC NameN-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
SMILESCC(C)(C)N1CCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H26ClN3/c1-16(2,3)20-12-10-19(11-13-20)9-8-18-15-6-4-14(17)5-7-15/h4-7,18H,8-13H2,1-3H3
InChIKeyQQFIDJWMCJOQPB-UHFFFAOYSA-N
XLogP3.17
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.86
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
CID 62888220
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
4-chloro-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]aniline
CID 103503461
4-chloro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 63627196
4-chloro-N-[2-(1,4-thiazepan-4-yl)ethyl]aniline
CID 62557767
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-fluoroaniline
CID 62575931
4-chloro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]aniline
CID 64583608
1-[2-(4-chloroanilino)ethyl]-3-methylimidazol-2-one
CID 80582550

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline?
The IUPAC name of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline (CID 62557542) is N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline.
What is the SMILES notation for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline?
The canonical SMILES for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline is CC(C)(C)N1CCN(CCNc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline?
The InChIKey is QQFIDJWMCJOQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-16(2,3)20-12-10-19(11-13-20)9-8-18-15-6-4-14(17)5-7-15/h4-7,18H,8-13H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline?
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline has a molecular weight of 295.86 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline is sourced from PubChem (CID 62557542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).