3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine

C19H34N6 — CID 70705923

IUPAC3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
SMILESCn1c(CN2CCCCC2)nnc1C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C19H34N6/c1-23-18(15-24-11-3-2-4-12-24)21-22-19(23)16-6-5-13-25(14-16)17-7-9-20-10-8-17/h16-17,20H,2-15H2,1H3
InChIKeyNAKGJQMYFHGXQY-UHFFFAOYSA-N
MW346.52 g/mol
LogP1.73
Rot. Bonds4

About 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine

3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine (PubChem CID 70705923) has the molecular formula C19H34N6 and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
PubChem CID70705923
Molecular FormulaC19H34N6
Molecular Weight346.52 g/mol
Exact Mass346.28
IUPAC Name3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
SMILESCn1c(CN2CCCCC2)nnc1C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C19H34N6/c1-23-18(15-24-11-3-2-4-12-24)21-22-19(23)16-6-5-13-25(14-16)17-7-9-20-10-8-17/h16-17,20H,2-15H2,1H3
InChIKeyNAKGJQMYFHGXQY-UHFFFAOYSA-N
XLogP1.73
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine (CID 70705923) is 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine is Cn1c(CN2CCCCC2)nnc1C1CCCN(C2CCNCC2)C1.
What is the InChIKey of 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The InChIKey is NAKGJQMYFHGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6/c1-23-18(15-24-11-3-2-4-12-24)21-22-19(23)16-6-5-13-25(14-16)17-7-9-20-10-8-17/h16-17,20H,2-15H2,1H3.
What are the key properties of 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine has a molecular weight of 346.52 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 70705923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).