1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine

C19H36N6 — CID 46983053

IUPAC1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CCN(CC(C)(C)CN3CCCC3)CC2)nn1
InChIInChI=1S/C19H36N6/c1-19(2,15-23-8-4-5-9-23)16-24-10-6-17(7-11-24)13-25-14-18(12-20-3)21-22-25/h14,17,20H,4-13,15-16H2,1-3H3
InChIKeyMAZJDPVWTNFVLD-UHFFFAOYSA-N
MW348.54 g/mol
LogP1.83
Rot. Bonds8

About 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine

1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 46983053) has the molecular formula C19H36N6 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine
PubChem CID46983053
Molecular FormulaC19H36N6
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Name1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CC2CCN(CC(C)(C)CN3CCCC3)CC2)nn1
InChIInChI=1S/C19H36N6/c1-19(2,15-23-8-4-5-9-23)16-24-10-6-17(7-11-24)13-25-14-18(12-20-3)21-22-25/h14,17,20H,4-13,15-16H2,1-3H3
InChIKeyMAZJDPVWTNFVLD-UHFFFAOYSA-N
XLogP1.83
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine (CID 46983053) is 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CC2CCN(CC(C)(C)CN3CCCC3)CC2)nn1.
What is the InChIKey of 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is MAZJDPVWTNFVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6/c1-19(2,15-23-8-4-5-9-23)16-24-10-6-17(7-11-24)13-25-14-18(12-20-3)21-22-25/h14,17,20H,4-13,15-16H2,1-3H3.
What are the key properties of 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 348.54 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)piperidin-4-yl]methyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 46983053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).