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

C18H26N4O2 — CID 136519607

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cnnc1C1CCCN(Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H26N4O2/c1-4-22-13-19-20-18(22)15-6-5-9-21(12-15)11-14-7-8-16(23-2)17(10-14)24-3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3
InChIKeyYBYYYWRRNKENOO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.69
Rot. Bonds6

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

1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 136519607) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
PubChem CID136519607
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
SMILESCCn1cnnc1C1CCCN(Cc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H26N4O2/c1-4-22-13-19-20-18(22)15-6-5-9-21(12-15)11-14-7-8-16(23-2)17(10-14)24-3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3
InChIKeyYBYYYWRRNKENOO-UHFFFAOYSA-N
XLogP2.69
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(bromomethyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 80680131
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 126781661
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
(3R)-3-(1,4-dimethylimidazol-2-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidine
CID 125025540
3-[1-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 110234058
(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 26350738
1-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 74241223
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110913240
(3S,5S)-1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperidine
CID 784275

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine (CID 136519607) is 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine is CCn1cnnc1C1CCCN(Cc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is YBYYYWRRNKENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22-13-19-20-18(22)15-6-5-9-21(12-15)11-14-7-8-16(23-2)17(10-14)24-3/h7-8,10,13,15H,4-6,9,11-12H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine?
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 330.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 136519607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).