N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline

C16H27N3 — CID 62773685

IUPACN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCCC(C)N1CCN(CCNc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-15(2)19-13-11-18(12-14-19)10-9-17-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3
InChIKeyCGOJTCXWXXNKEF-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline

N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline (PubChem CID 62773685) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
PubChem CID62773685
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline
SMILESCCC(C)N1CCN(CCNc2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-15(2)19-13-11-18(12-14-19)10-9-17-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3
InChIKeyCGOJTCXWXXNKEF-UHFFFAOYSA-N
XLogP2.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline (CID 62773685) is N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline is CCC(C)N1CCN(CCNc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline?
The InChIKey is CGOJTCXWXXNKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-15(2)19-13-11-18(12-14-19)10-9-17-16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3.
What are the key properties of N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline?
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]aniline is sourced from PubChem (CID 62773685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).