2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine

C17H26N6 — CID 56858180

IUPAC2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine
SMILESCc1cccc(N2CCC(Cn3cc(C(C)(C)N)nn3)CC2)n1
InChIInChI=1S/C17H26N6/c1-13-5-4-6-16(19-13)22-9-7-14(8-10-22)11-23-12-15(20-21-23)17(2,3)18/h4-6,12,14H,7-11,18H2,1-3H3
InChIKeyAGHBNGQAEFLRFX-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.09
Rot. Bonds4

About 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine

2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine (PubChem CID 56858180) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine
PubChem CID56858180
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine
SMILESCc1cccc(N2CCC(Cn3cc(C(C)(C)N)nn3)CC2)n1
InChIInChI=1S/C17H26N6/c1-13-5-4-6-16(19-13)22-9-7-14(8-10-22)11-23-12-15(20-21-23)17(2,3)18/h4-6,12,14H,7-11,18H2,1-3H3
InChIKeyAGHBNGQAEFLRFX-UHFFFAOYSA-N
XLogP2.09
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[1-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 154892005
4-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]piperidin-1-yl]pyrimidin-2-amine
CID 46998124
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butan-1-amine
CID 69036700
[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 46987931
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 29001075
2-[1-[(1-cyclobutylpiperidin-4-yl)methyl]triazol-4-yl]propan-2-ol
CID 29001022
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
[2-(methylamino)-2-oxoethyl] 4-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butanoate
CID 58032739
[4-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone;2,2,2-trifluoroacetic acid
CID 154887282

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine (CID 56858180) is 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine is Cc1cccc(N2CCC(Cn3cc(C(C)(C)N)nn3)CC2)n1.
What is the InChIKey of 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine?
The InChIKey is AGHBNGQAEFLRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-5-4-6-16(19-13)22-9-7-14(8-10-22)11-23-12-15(20-21-23)17(2,3)18/h4-6,12,14H,7-11,18H2,1-3H3.
What are the key properties of 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine?
2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine has a molecular weight of 314.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(6-methyl-2-pyridinyl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-amine is sourced from PubChem (CID 56858180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).