2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline

C15H22N6 — CID 62654359

IUPAC2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCC1CCCCN1C
InChIInChI=1S/C15H22N6/c1-12-6-7-13(21-11-17-18-19-21)9-15(12)16-10-14-5-3-4-8-20(14)2/h6-7,9,11,14,16H,3-5,8,10H2,1-2H3
InChIKeyQRIQUCBUWQIKEG-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.87
Rot. Bonds4

About 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline

2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline (PubChem CID 62654359) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
PubChem CID62654359
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline
SMILESCc1ccc(-n2cnnn2)cc1NCC1CCCCN1C
InChIInChI=1S/C15H22N6/c1-12-6-7-13(21-11-17-18-19-21)9-15(12)16-10-14-5-3-4-8-20(14)2/h6-7,9,11,14,16H,3-5,8,10H2,1-2H3
InChIKeyQRIQUCBUWQIKEG-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline (CID 62654359) is 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline is Cc1ccc(-n2cnnn2)cc1NCC1CCCCN1C.
What is the InChIKey of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
The InChIKey is QRIQUCBUWQIKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-6-7-13(21-11-17-18-19-21)9-15(12)16-10-14-5-3-4-8-20(14)2/h6-7,9,11,14,16H,3-5,8,10H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline?
2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline has a molecular weight of 286.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpiperidin-2-yl)methyl]-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 62654359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).