N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine

C14H21N5S — CID 31162386

IUPACN-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCNCc1cn(C2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C14H21N5S/c1-15-8-13-10-19(17-16-13)14-2-5-18(6-3-14)9-12-4-7-20-11-12/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyVDKZJYAXLRAZCD-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine

N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine (PubChem CID 31162386) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine
PubChem CID31162386
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine
SMILESCNCc1cn(C2CCN(Cc3ccsc3)CC2)nn1
InChIInChI=1S/C14H21N5S/c1-15-8-13-10-19(17-16-13)14-2-5-18(6-3-14)9-12-4-7-20-11-12/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3
InChIKeyVDKZJYAXLRAZCD-UHFFFAOYSA-N
XLogP1.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine (CID 31162386) is N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine is CNCc1cn(C2CCN(Cc3ccsc3)CC2)nn1.
What is the InChIKey of N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine?
The InChIKey is VDKZJYAXLRAZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-15-8-13-10-19(17-16-13)14-2-5-18(6-3-14)9-12-4-7-20-11-12/h4,7,10-11,14-15H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine?
N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[1-(thiophen-3-ylmethyl)piperidin-4-yl]triazol-4-yl]methanamine is sourced from PubChem (CID 31162386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).