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

C15H27N5 — CID 70721637

IUPAC1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCN1CCC(c2nnc(CN3CCCCC3)n2C)CC1
InChIInChI=1S/C15H27N5/c1-18-10-6-13(7-11-18)15-17-16-14(19(15)2)12-20-8-4-3-5-9-20/h13H,3-12H2,1-2H3
InChIKeySTZSCNDWSZLMME-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.61
Rot. Bonds3

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

1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 70721637) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID70721637
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCN1CCC(c2nnc(CN3CCCCC3)n2C)CC1
InChIInChI=1S/C15H27N5/c1-18-10-6-13(7-11-18)15-17-16-14(19(15)2)12-20-8-4-3-5-9-20/h13H,3-12H2,1-2H3
InChIKeySTZSCNDWSZLMME-UHFFFAOYSA-N
XLogP1.61
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Methyl-1,2,4-triazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 15669971
4-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70704629
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-ethylpiperidine
CID 70716296
1-methyl-4-({4-methyl-5-[1-(methylsulfonyl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)piperazine
CID 70719741
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isobutylpiperidine
CID 70720739
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-isopropylpiperidine
CID 70763733
1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-methylpiperidine
CID 70786737
1-methyl-4-({4-methyl-5-[1-(3-methylbut-2-en-1-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)piperazine
CID 72847595
1-({5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-4-methylpiperazine
CID 72876363
1-{[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-methylpiperazine
CID 72918299
1-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-(cyclopropylmethyl)piperazine
CID 75453966

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 70721637) is 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is CN1CCC(c2nnc(CN3CCCCC3)n2C)CC1.
What is the InChIKey of 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is STZSCNDWSZLMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-18-10-6-13(7-11-18)15-17-16-14(19(15)2)12-20-8-4-3-5-9-20/h13H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 277.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 70721637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).