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

C15H23N5S — CID 56854108

IUPACN-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1cn(CC2CCCNC2)nn1
InChIInChI=1S/C15H23N5S/c1-19(8-14-4-6-21-12-14)10-15-11-20(18-17-15)9-13-3-2-5-16-7-13/h4,6,11-13,16H,2-3,5,7-10H2,1H3
InChIKeyGDFLUKGRYOCOHJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.97
Rot. Bonds6

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

N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine (PubChem CID 56854108) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
PubChem CID56854108
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine
SMILESCN(Cc1ccsc1)Cc1cn(CC2CCCNC2)nn1
InChIInChI=1S/C15H23N5S/c1-19(8-14-4-6-21-12-14)10-15-11-20(18-17-15)9-13-3-2-5-16-7-13/h4,6,11-13,16H,2-3,5,7-10H2,1H3
InChIKeyGDFLUKGRYOCOHJ-UHFFFAOYSA-N
XLogP1.97
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[methyl-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]amino]methyl]phenol
CID 45240942
N-methyl-N-(piperidin-3-ylmethyl)-2-thiophen-3-ylethanamine
CID 106636462
4-[[[1-(cyclopropylmethyl)triazol-4-yl]methyl-methylamino]methyl]-2-methoxyphenol
CID 166235389
N-methyl-1-[[(3R)-piperidin-3-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95122940
2,2-dimethyl-4-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]morpholine
CID 45238120
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106623709
3-(2-thiophen-3-ylethyl)azepane
CID 104680659
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615595
2-methyl-N-[[1-[2-[methyl(thiophen-3-ylmethyl)amino]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62421401
N-[(5-ethyl-2-pyridinyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95146832
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine (CID 56854108) is N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine is CN(Cc1ccsc1)Cc1cn(CC2CCCNC2)nn1.
What is the InChIKey of N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is GDFLUKGRYOCOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-19(8-14-4-6-21-12-14)10-15-11-20(18-17-15)9-13-3-2-5-16-7-13/h4,6,11-13,16H,2-3,5,7-10H2,1H3.
What are the key properties of N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine?
N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 305.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(piperidin-3-ylmethyl)triazol-4-yl]methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 56854108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).