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

C22H28N2O3 — CID 139347976

IUPACN-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
SMILESc1ccc(COc2ccc3c(c2)O[C@H](CNCC2CCCNC2)CO3)cc1
InChIInChI=1S/C22H28N2O3/c1-2-5-17(6-3-1)15-25-19-8-9-21-22(11-19)27-20(16-26-21)14-24-13-18-7-4-10-23-12-18/h1-3,5-6,8-9,11,18,20,23-24H,4,7,10,12-16H2/t18?,20-/m1/s1
InChIKeyMWGWXJRJZSFQHX-ROPPNANJSA-N
MW368.48 g/mol
LogP2.99
Rot. Bonds7

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

N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine (PubChem CID 139347976) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
PubChem CID139347976
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine
SMILESc1ccc(COc2ccc3c(c2)O[C@H](CNCC2CCCNC2)CO3)cc1
InChIInChI=1S/C22H28N2O3/c1-2-5-17(6-3-1)15-25-19-8-9-21-22(11-19)27-20(16-26-21)14-24-13-18-7-4-10-23-12-18/h1-3,5-6,8-9,11,18,20,23-24H,4,7,10,12-16H2/t18?,20-/m1/s1
InChIKeyMWGWXJRJZSFQHX-ROPPNANJSA-N
XLogP2.99
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
1-benzyl-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-amine
CID 139348054
N-benzyl-1-[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 10731859
1-(furan-2-ylmethyl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide
CID 153328855
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139348002
1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 139351637
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
3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
CID 156622032
[(3R)-6-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 139348032
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
1-(1,3-benzodioxol-5-yloxy)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)propan-2-ol
CID 3068438

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine (CID 139347976) is N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine is c1ccc(COc2ccc3c(c2)O[C@H](CNCC2CCCNC2)CO3)cc1.
What is the InChIKey of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is MWGWXJRJZSFQHX-ROPPNANJSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-5-17(6-3-1)15-25-19-8-9-21-22(11-19)27-20(16-26-21)14-24-13-18-7-4-10-23-12-18/h1-3,5-6,8-9,11,18,20,23-24H,4,7,10,12-16H2/t18?,20-/m1/s1.
What are the key properties of N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine?
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine has a molecular weight of 368.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 139347976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).