1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine

C17H24N6 — CID 154786401

IUPAC1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2cn([C@H]3CCCc4cccnc43)nn2)C1
InChIInChI=1S/C17H24N6/c18-14-6-3-9-22(10-14)11-15-12-23(21-20-15)16-7-1-4-13-5-2-8-19-17(13)16/h2,5,8,12,14,16H,1,3-4,6-7,9-11,18H2/t14?,16-/m0/s1
InChIKeyDADKUWFXXBMMPV-WMCAAGNKSA-N
MW312.42 g/mol
LogP1.52
Rot. Bonds3

About 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine

1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine (PubChem CID 154786401) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine
PubChem CID154786401
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2cn([C@H]3CCCc4cccnc43)nn2)C1
InChIInChI=1S/C17H24N6/c18-14-6-3-9-22(10-14)11-15-12-23(21-20-15)16-7-1-4-13-5-2-8-19-17(13)16/h2,5,8,12,14,16H,1,3-4,6-7,9-11,18H2/t14?,16-/m0/s1
InChIKeyDADKUWFXXBMMPV-WMCAAGNKSA-N
XLogP1.52
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine?
The IUPAC name of 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine (CID 154786401) is 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine?
The canonical SMILES for 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine is NC1CCCN(Cc2cn([C@H]3CCCc4cccnc43)nn2)C1.
What is the InChIKey of 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine?
The InChIKey is DADKUWFXXBMMPV-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H24N6/c18-14-6-3-9-22(10-14)11-15-12-23(21-20-15)16-7-1-4-13-5-2-8-19-17(13)16/h2,5,8,12,14,16H,1,3-4,6-7,9-11,18H2/t14?,16-/m0/s1.
What are the key properties of 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine?
1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine has a molecular weight of 312.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]triazol-4-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 154786401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).