1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine

C19H24N6 — CID 146081748

IUPAC1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2cn(Cc3ccc4ncccc4c3)nn2)CC1
InChIInChI=1S/C19H24N6/c1-24-9-6-17(7-10-24)21-12-18-14-25(23-22-18)13-15-4-5-19-16(11-15)3-2-8-20-19/h2-5,8,11,14,17,21H,6-7,9-10,12-13H2,1H3
InChIKeyXMSNOBXYDKEDIC-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.06
Rot. Bonds5

About 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine

1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine (PubChem CID 146081748) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine
PubChem CID146081748
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine
SMILESCN1CCC(NCc2cn(Cc3ccc4ncccc4c3)nn2)CC1
InChIInChI=1S/C19H24N6/c1-24-9-6-17(7-10-24)21-12-18-14-25(23-22-18)13-15-4-5-19-16(11-15)3-2-8-20-19/h2-5,8,11,14,17,21H,6-7,9-10,12-13H2,1H3
InChIKeyXMSNOBXYDKEDIC-UHFFFAOYSA-N
XLogP2.06
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine (CID 146081748) is 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine is CN1CCC(NCc2cn(Cc3ccc4ncccc4c3)nn2)CC1.
What is the InChIKey of 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is XMSNOBXYDKEDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-24-9-6-17(7-10-24)21-12-18-14-25(23-22-18)13-15-4-5-19-16(11-15)3-2-8-20-19/h2-5,8,11,14,17,21H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine?
1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 336.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 146081748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).