1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine

C18H27NO3 — CID 138807451

IUPAC1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C18H27NO3/c1-20-18-5-3-2-4-17(18)15-6-9-19(10-7-15)11-8-16-14-21-12-13-22-16/h2-5,15-16H,6-14H2,1H3
InChIKeyTTXVHBXLJDCDBQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine (PubChem CID 138807451) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
PubChem CID138807451
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C18H27NO3/c1-20-18-5-3-2-4-17(18)15-6-9-19(10-7-15)11-8-16-14-21-12-13-22-16/h2-5,15-16H,6-14H2,1H3
InChIKeyTTXVHBXLJDCDBQ-UHFFFAOYSA-N
XLogP2.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
4-(2-methoxyphenyl)oxane
CID 121009799
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
4-(2-methoxyphenyl)-1-(3-pyrazol-1-ylpropyl)piperidine
CID 91834526
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
CID 119073542
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine (CID 138807451) is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(CCC2COCCO2)CC1.
What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine?
The InChIKey is TTXVHBXLJDCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-18-5-3-2-4-17(18)15-6-9-19(10-7-15)11-8-16-14-21-12-13-22-16/h2-5,15-16H,6-14H2,1H3.
What are the key properties of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine?
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine has a molecular weight of 305.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 138807451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).