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

C19H29NO4 — CID 138807936

IUPAC1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
SMILESCOc1ccc(OCC2CCN(CCC3COCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4/c1-21-17-2-4-18(5-3-17)24-14-16-6-9-20(10-7-16)11-8-19-15-22-12-13-23-19/h2-5,16,19H,6-15H2,1H3
InChIKeyYYJQVSZMZYRDPF-UHFFFAOYSA-N
MW335.44 g/mol
LogP2.59
Rot. Bonds7

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

1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine (PubChem CID 138807936) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
PubChem CID138807936
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine
SMILESCOc1ccc(OCC2CCN(CCC3COCCO3)CC2)cc1
InChIInChI=1S/C19H29NO4/c1-21-17-2-4-18(5-3-17)24-14-16-6-9-20(10-7-16)11-8-19-15-22-12-13-23-19/h2-5,16,19H,6-15H2,1H3
InChIKeyYYJQVSZMZYRDPF-UHFFFAOYSA-N
XLogP2.59
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 139598682
2-[(4-methoxyphenyl)methyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 102057404
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-fluorophenoxy)piperidine
CID 138808176
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586
4-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]morpholine
CID 139599433
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
2-[4-[2-(1,4-dioxan-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 138809318
1-(2,3-dimethylphenyl)-4-[2-(1,4-dioxan-2-yl)ethyl]piperazine
CID 138806981
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 70753428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine?
The IUPAC name of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine (CID 138807936) is 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine.
What is the SMILES notation for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine?
The canonical SMILES for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine is COc1ccc(OCC2CCN(CCC3COCCO3)CC2)cc1.
What is the InChIKey of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine?
The InChIKey is YYJQVSZMZYRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-21-17-2-4-18(5-3-17)24-14-16-6-9-20(10-7-16)11-8-19-15-22-12-13-23-19/h2-5,16,19H,6-15H2,1H3.
What are the key properties of 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine?
1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine has a molecular weight of 335.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxan-2-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 138807936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).