1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine

C18H26N4O2 — CID 75470816

IUPAC1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESCOc1ccc(CN2CCC(n3cncn3)CC2)c(OC(C)C)c1
InChIInChI=1S/C18H26N4O2/c1-14(2)24-18-10-17(23-3)5-4-15(18)11-21-8-6-16(7-9-21)22-13-19-12-20-22/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyQBLWSKAQEOAKJN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.91
Rot. Bonds6

About 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine

1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine (PubChem CID 75470816) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
PubChem CID75470816
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
SMILESCOc1ccc(CN2CCC(n3cncn3)CC2)c(OC(C)C)c1
InChIInChI=1S/C18H26N4O2/c1-14(2)24-18-10-17(23-3)5-4-15(18)11-21-8-6-16(7-9-21)22-13-19-12-20-22/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyQBLWSKAQEOAKJN-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 75439034
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111824353
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
1-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64949014
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine?
The IUPAC name of 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine (CID 75470816) is 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine.
What is the SMILES notation for 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine?
The canonical SMILES for 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine is COc1ccc(CN2CCC(n3cncn3)CC2)c(OC(C)C)c1.
What is the InChIKey of 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine?
The InChIKey is QBLWSKAQEOAKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)24-18-10-17(23-3)5-4-15(18)11-21-8-6-16(7-9-21)22-13-19-12-20-22/h4-5,10,12-14,16H,6-9,11H2,1-3H3.
What are the key properties of 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine?
1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine has a molecular weight of 330.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-propan-2-yloxyphenyl)methyl]-4-(1,2,4-triazol-1-yl)piperidine is sourced from PubChem (CID 75470816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).