4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline

C16H27ClN4 — CID 62888220

IUPAC4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
SMILESCN(C)CCN1CCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H27ClN4/c1-19(2)9-10-21-13-11-20(12-14-21)8-7-18-16-5-3-15(17)4-6-16/h3-6,18H,7-14H2,1-2H3
InChIKeyPUSFFKGTFSAQGL-UHFFFAOYSA-N
MW310.87 g/mol
LogP1.93
Rot. Bonds7

About 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline

4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline (PubChem CID 62888220) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
PubChem CID62888220
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline
SMILESCN(C)CCN1CCN(CCNc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H27ClN4/c1-19(2)9-10-21-13-11-20(12-14-21)8-7-18-16-5-3-15(17)4-6-16/h3-6,18H,7-14H2,1-2H3
InChIKeyPUSFFKGTFSAQGL-UHFFFAOYSA-N
XLogP1.93
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-chloroaniline
CID 62557542
N-(4-chlorophenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 55163626
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
CID 62889245
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
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
2-[4-[[1-(4-chlorophenyl)cyclopropyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 16673943
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline?
The IUPAC name of 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline (CID 62888220) is 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline.
What is the SMILES notation for 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline?
The canonical SMILES for 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline is CN(C)CCN1CCN(CCNc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline?
The InChIKey is PUSFFKGTFSAQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-19(2)9-10-21-13-11-20(12-14-21)8-7-18-16-5-3-15(17)4-6-16/h3-6,18H,7-14H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline?
4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline has a molecular weight of 310.87 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]aniline is sourced from PubChem (CID 62888220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).