N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline

C15H21N5 — CID 72878628

IUPACN-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline
SMILESc1ccc(NCCn2cc(C3CCCNC3)nn2)cc1
InChIInChI=1S/C15H21N5/c1-2-6-14(7-3-1)17-9-10-20-12-15(18-19-20)13-5-4-8-16-11-13/h1-3,6-7,12-13,16-17H,4-5,8-11H2
InChIKeyXFGXRXICZHPGEJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline

N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline (PubChem CID 72878628) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline
PubChem CID72878628
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline
SMILESc1ccc(NCCn2cc(C3CCCNC3)nn2)cc1
InChIInChI=1S/C15H21N5/c1-2-6-14(7-3-1)17-9-10-20-12-15(18-19-20)13-5-4-8-16-11-13/h1-3,6-7,12-13,16-17H,4-5,8-11H2
InChIKeyXFGXRXICZHPGEJ-UHFFFAOYSA-N
XLogP1.86
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline?
The IUPAC name of N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline (CID 72878628) is N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline?
The canonical SMILES for N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline is c1ccc(NCCn2cc(C3CCCNC3)nn2)cc1.
What is the InChIKey of N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline?
The InChIKey is XFGXRXICZHPGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-6-14(7-3-1)17-9-10-20-12-15(18-19-20)13-5-4-8-16-11-13/h1-3,6-7,12-13,16-17H,4-5,8-11H2.
What are the key properties of N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline?
N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline has a molecular weight of 271.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-piperidin-3-yltriazol-1-yl)ethyl]aniline is sourced from PubChem (CID 72878628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).