1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine

C28H32N2O3 — CID 139348054

IUPAC1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
SMILESc1ccc(COc2ccc3c(c2)O[C@H](CNC2CCN(Cc4ccccc4)CC2)CO3)cc1
InChIInChI=1S/C28H32N2O3/c1-3-7-22(8-4-1)19-30-15-13-24(14-16-30)29-18-26-21-32-27-12-11-25(17-28(27)33-26)31-20-23-9-5-2-6-10-23/h1-12,17,24,26,29H,13-16,18-21H2/t26-/m1/s1
InChIKeyAYYOVUAYUQEOCV-AREMUKBSSA-N
MW444.58 g/mol
LogP4.66
Rot. Bonds8

About 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine

1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine (PubChem CID 139348054) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
PubChem CID139348054
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
SMILESc1ccc(COc2ccc3c(c2)O[C@H](CNC2CCN(Cc4ccccc4)CC2)CO3)cc1
InChIInChI=1S/C28H32N2O3/c1-3-7-22(8-4-1)19-30-15-13-24(14-16-30)29-18-26-21-32-27-12-11-25(17-28(27)33-26)31-20-23-9-5-2-6-10-23/h1-12,17,24,26,29H,13-16,18-21H2/t26-/m1/s1
InChIKeyAYYOVUAYUQEOCV-AREMUKBSSA-N
XLogP4.66
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 153328855
1-(oxan-4-yl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanamine
CID 139348013
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
CID 139362356
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
CID 139347976
1-methyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide;1-methylpiperidine-4-carboxylic acid;[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 159892973
1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 139351637
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
N-benzyl-1-[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 10731859
3-[2-[1-[[(2S)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]piperidin-4-yl]ethyl]-1,3-oxazolidin-2-one
CID 144663448
1-methyl-N-[[(3R)-6-[(4-methylphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 139362391
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine (CID 139348054) is 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine is c1ccc(COc2ccc3c(c2)O[C@H](CNC2CCN(Cc4ccccc4)CC2)CO3)cc1.
What is the InChIKey of 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine?
The InChIKey is AYYOVUAYUQEOCV-AREMUKBSSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-3-7-22(8-4-1)19-30-15-13-24(14-16-30)29-18-26-21-32-27-12-11-25(17-28(27)33-26)31-20-23-9-5-2-6-10-23/h1-12,17,24,26,29H,13-16,18-21H2/t26-/m1/s1.
What are the key properties of 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine has a molecular weight of 444.58 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 139348054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).