3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline

C15H24ClN3 — CID 62575733

IUPAC3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
SMILESCCCN1CCN(CCNc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-2-7-18-9-11-19(12-10-18)8-6-17-15-5-3-4-14(16)13-15/h3-5,13,17H,2,6-12H2,1H3
InChIKeyGNUCUBLUJXIURD-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.78
Rot. Bonds6

About 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline

3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline (PubChem CID 62575733) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
PubChem CID62575733
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
SMILESCCCN1CCN(CCNc2cccc(Cl)c2)CC1
InChIInChI=1S/C15H24ClN3/c1-2-7-18-9-11-19(12-10-18)8-6-17-15-5-3-4-14(16)13-15/h3-5,13,17H,2,6-12H2,1H3
InChIKeyGNUCUBLUJXIURD-UHFFFAOYSA-N
XLogP2.78
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline (CID 62575733) is 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline is CCCN1CCN(CCNc2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline?
The InChIKey is GNUCUBLUJXIURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-2-7-18-9-11-19(12-10-18)8-6-17-15-5-3-4-14(16)13-15/h3-5,13,17H,2,6-12H2,1H3.
What are the key properties of 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline?
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline has a molecular weight of 281.83 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 62575733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).