3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine

C20H23NO3 — CID 11301802

IUPAC3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)C(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C20H23NO3/c1-21-10-9-18(15-5-3-2-4-6-15)16(12-21)13-22-17-7-8-19-20(11-17)24-14-23-19/h2-8,11,16,18H,9-10,12-14H2,1H3
InChIKeyOVUNPIXRLQMWHL-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.53
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine

3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine (PubChem CID 11301802) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine
PubChem CID11301802
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine
SMILESCN1CCC(c2ccccc2)C(COc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C20H23NO3/c1-21-10-9-18(15-5-3-2-4-6-15)16(12-21)13-22-17-7-8-19-20(11-17)24-14-23-19/h2-8,11,16,18H,9-10,12-14H2,1H3
InChIKeyOVUNPIXRLQMWHL-UHFFFAOYSA-N
XLogP3.53
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine 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

(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 67637810
(3S)-3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)piperidine
CID 112758502
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-(3-phenylpropyl)piperidine
CID 18635538
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine-1-sulfonyl fluoride
CID 171360022
(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-N,N-dimethylpiperidine-1-carboxamide
CID 7730005
(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-1-cyclopentyl-4-(4-fluorophenyl)piperidine
CID 18635554
3-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 67853203
3-[(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 56988243
1-[3-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]propyl]-4,4-dimethylpiperidine;dihydrochloride
CID 67639246
tert-butyl 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-ethoxyphenyl)piperidine-1-carboxylate
CID 175678871
[4-(1,3-benzodioxol-5-yl)-1-methylpiperidin-3-yl]methanamine
CID 82623063

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine (CID 11301802) is 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine is CN1CCC(c2ccccc2)C(COc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine?
The InChIKey is OVUNPIXRLQMWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-10-9-18(15-5-3-2-4-6-15)16(12-21)13-22-17-7-8-19-20(11-17)24-14-23-19/h2-8,11,16,18H,9-10,12-14H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine?
3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine has a molecular weight of 325.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yloxymethyl)-1-methyl-4-phenylpiperidine is sourced from PubChem (CID 11301802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).