1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine

C20H23NO2 — CID 25174673

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
SMILESc1ccc(C2CCCN(CC3COc4ccccc4O3)C2)cc1
InChIInChI=1S/C20H23NO2/c1-2-7-16(8-3-1)17-9-6-12-21(13-17)14-18-15-22-19-10-4-5-11-20(19)23-18/h1-5,7-8,10-11,17-18H,6,9,12-15H2
InChIKeyGCJVMVDBLSKSAH-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.71
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine (PubChem CID 25174673) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
PubChem CID25174673
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine
SMILESc1ccc(C2CCCN(CC3COc4ccccc4O3)C2)cc1
InChIInChI=1S/C20H23NO2/c1-2-7-16(8-3-1)17-9-6-12-21(13-17)14-18-15-22-19-10-4-5-11-20(19)23-18/h1-5,7-8,10-11,17-18H,6,9,12-15H2
InChIKeyGCJVMVDBLSKSAH-UHFFFAOYSA-N
XLogP3.71
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[3-(trifluoromethyl)phenyl]piperidine
CID 25174512
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(2-fluorophenyl)piperidine
CID 25174350
(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 159117101
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
(2S)-2-[[(3R)-3-(3-hydroxyphenyl)piperidin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 25175171
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621557
1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]pyrrolidine-2,5-dione
CID 138621554
(3R)-1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-3-methyl-3-phenylpyrrolidin-2-one
CID 138621454
(3aS,7aR)-2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 138621604
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-ol
CID 60643705

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine (CID 25174673) is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine is c1ccc(C2CCCN(CC3COc4ccccc4O3)C2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine?
The InChIKey is GCJVMVDBLSKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-7-16(8-3-1)17-9-6-12-21(13-17)14-18-15-22-19-10-4-5-11-20(19)23-18/h1-5,7-8,10-11,17-18H,6,9,12-15H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine?
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine has a molecular weight of 309.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenylpiperidine is sourced from PubChem (CID 25174673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).