1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine

C12H23NO3 — CID 66473510

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
SMILESCOC1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C12H23NO3/c1-14-11-3-6-13(7-4-11)8-5-12-15-9-2-10-16-12/h11-12H,2-10H2,1H3
InChIKeyHBSDZGGHWDFOBC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.25
Rot. Bonds4

About 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine

1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine (PubChem CID 66473510) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
PubChem CID66473510
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
SMILESCOC1CCN(CCC2OCCCO2)CC1
InChIInChI=1S/C12H23NO3/c1-14-11-3-6-13(7-4-11)8-5-12-15-9-2-10-16-12/h11-12H,2-10H2,1H3
InChIKeyHBSDZGGHWDFOBC-UHFFFAOYSA-N
XLogP1.25
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(1,3-dioxan-2-yl)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 66472318
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpyrrolidine
CID 79189022
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
CID 66472524
1-(2-bromoethyl)-4-methoxypiperidine
CID 61286304
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
CID 171909488
1-[2-(1,3-dioxan-2-yl)ethyl]-N,N-dimethylpiperidin-3-amine
CID 66473733
(3S)-1-[2-(1,3-dioxolan-2-yl)ethyl]-3-prop-2-enoxypyrrolidine
CID 99612751
1-butyl-4-methoxypiperidine
CID 58602973
4-[2-(1,3-dioxan-2-yl)ethyl]-2-ethyl-1-methylpiperazine
CID 66474133
4-[2-(1,3-dioxan-2-yl)ethyl]-2,6-dimethylthiomorpholine
CID 66472120
[4-[(4-methoxypiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391544
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine (CID 66473510) is 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine is COC1CCN(CCC2OCCCO2)CC1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine?
The InChIKey is HBSDZGGHWDFOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-11-3-6-13(7-4-11)8-5-12-15-9-2-10-16-12/h11-12H,2-10H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine?
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine has a molecular weight of 229.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine is sourced from PubChem (CID 66473510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).