N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline

C15H22N6 — CID 43702094

IUPACN-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)C1CCCN(C)C1
InChIInChI=1S/C15H22N6/c1-12(13-6-5-9-20(2)10-13)17-14-7-3-4-8-15(14)21-11-16-18-19-21/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3
InChIKeyJDMHSLVCGLFTEU-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline

N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline (PubChem CID 43702094) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
PubChem CID43702094
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
SMILESCC(Nc1ccccc1-n1cnnn1)C1CCCN(C)C1
InChIInChI=1S/C15H22N6/c1-12(13-6-5-9-20(2)10-13)17-14-7-3-4-8-15(14)21-11-16-18-19-21/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3
InChIKeyJDMHSLVCGLFTEU-UHFFFAOYSA-N
XLogP1.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopentylethyl)-2-(tetrazol-1-yl)aniline
CID 55096519
2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
N-(1,1-difluoropropan-2-yl)-2-(tetrazol-1-yl)aniline
CID 102868555
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
N-(1-cyclohexylethyl)-2-(triazol-1-yl)aniline
CID 43779547
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
CID 43308775
1-ethyl-N-[2-(tetrazol-1-yl)phenyl]azepan-4-amine
CID 65074659
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline (CID 43702094) is N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline is CC(Nc1ccccc1-n1cnnn1)C1CCCN(C)C1.
What is the InChIKey of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline?
The InChIKey is JDMHSLVCGLFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12(13-6-5-9-20(2)10-13)17-14-7-3-4-8-15(14)21-11-16-18-19-21/h3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3.
What are the key properties of N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline?
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline has a molecular weight of 286.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 43702094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).