4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine

C16H22N4 — CID 136580193

IUPAC4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnnc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N4/c1-19-13-17-18-16(19)12-20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyUZDJMWABBKVXAP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.27
Rot. Bonds4

About 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine

4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 136580193) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID136580193
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESCn1cnnc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N4/c1-19-13-17-18-16(19)12-20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyUZDJMWABBKVXAP-UHFFFAOYSA-N
XLogP2.27
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 110913167
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 112733969
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
aniline;3-(cyclopentylmethyl)-4-methyl-1,2,4-triazole
CID 178119274
1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
CID 75431582
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 50961421
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 122244932
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771128

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 136580193) is 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine is Cn1cnnc1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is UZDJMWABBKVXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-13-17-18-16(19)12-20-9-7-15(8-10-20)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine?
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 270.38 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 136580193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).