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

C16H22N4O — CID 74240471

IUPAC4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCOc1ccc(Cn2ncnc2CC2CCNCC2)cc1
InChIInChI=1S/C16H22N4O/c1-21-15-4-2-14(3-5-15)11-20-16(18-12-19-20)10-13-6-8-17-9-7-13/h2-5,12-13,17H,6-11H2,1H3
InChIKeyWNRSUWNDCVGXBN-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.88
Rot. Bonds5

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

4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 74240471) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID74240471
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCOc1ccc(Cn2ncnc2CC2CCNCC2)cc1
InChIInChI=1S/C16H22N4O/c1-21-15-4-2-14(3-5-15)11-20-16(18-12-19-20)10-13-6-8-17-9-7-13/h2-5,12-13,17H,6-11H2,1H3
InChIKeyWNRSUWNDCVGXBN-UHFFFAOYSA-N
XLogP1.88
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
7-methoxy-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 117142954
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
4-[(1-benzyltetrazol-5-yl)methyl]piperidine
CID 84709168
1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 97435522
4-[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]morpholine
CID 141410963
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
1-[(4-fluorophenyl)methyl]-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 14013355
1-(4-methoxyphenyl)-3-piperidin-4-ylpropan-2-ol
CID 54148570
4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
CID 176515378
4-[5-(cyclopropylmethyl)-1-[[4-(2-methylpropoxy)phenyl]methyl]pyrazol-3-yl]piperidine
CID 175430727

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine (CID 74240471) is 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine is COc1ccc(Cn2ncnc2CC2CCNCC2)cc1.
What is the InChIKey of 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is WNRSUWNDCVGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-21-15-4-2-14(3-5-15)11-20-16(18-12-19-20)10-13-6-8-17-9-7-13/h2-5,12-13,17H,6-11H2,1H3.
What are the key properties of 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine?
4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 286.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 74240471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).