4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine

C21H31NO3 — CID 70056385

IUPAC4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine
SMILESc1cc2c(cc1OCCC1CCN(CC3CCCCC3)CC1)OCO2
InChIInChI=1S/C21H31NO3/c1-2-4-18(5-3-1)15-22-11-8-17(9-12-22)10-13-23-19-6-7-20-21(14-19)25-16-24-20/h6-7,14,17-18H,1-5,8-13,15-16H2
InChIKeyWUTHIHYNLCJTOK-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.48
Rot. Bonds6

About 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine

4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine (PubChem CID 70056385) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine
PubChem CID70056385
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC Name4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine
SMILESc1cc2c(cc1OCCC1CCN(CC3CCCCC3)CC1)OCO2
InChIInChI=1S/C21H31NO3/c1-2-4-18(5-3-1)15-22-11-8-17(9-12-22)10-13-23-19-6-7-20-21(14-19)25-16-24-20/h6-7,14,17-18H,1-5,8-13,15-16H2
InChIKeyWUTHIHYNLCJTOK-UHFFFAOYSA-N
XLogP4.48
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine 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

3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556
(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-2-ethylpiperidine
CID 52771462
2-[2-(1,3-benzodioxol-5-yloxy)ethyl]cyclopentan-1-one
CID 79565192
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-(cyclopropylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperidine;oxalic acid
CID 70056141
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1,4-diazepane
CID 82091513
1-[3-(1,3-benzodioxol-5-yloxy)propylsulfonyl]-3-methylpiperidine
CID 16884211
7-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-3-yl]methyl]-8,9-dihydro-5H-[1,3]dioxolo[4,5-h][3]benzazepin-6-one
CID 54079753
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038018
3-[2-(1,3-benzodioxol-5-yloxy)ethoxy]aniline
CID 39372047
4-(1,3-benzodioxol-5-yloxy)-2,2-dimethylbutanenitrile
CID 65256760
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine (CID 70056385) is 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine is c1cc2c(cc1OCCC1CCN(CC3CCCCC3)CC1)OCO2.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine?
The InChIKey is WUTHIHYNLCJTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-2-4-18(5-3-1)15-22-11-8-17(9-12-22)10-13-23-19-6-7-20-21(14-19)25-16-24-20/h6-7,14,17-18H,1-5,8-13,15-16H2.
What are the key properties of 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine?
4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine has a molecular weight of 345.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-1-(cyclohexylmethyl)piperidine is sourced from PubChem (CID 70056385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).