(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine

C24H30N2O3 — CID 51633437

IUPAC(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1cccc(CN2CCC[C@@H](NCC3=Cc4cccc(OC)c4OC3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-27-22-9-3-6-18(13-22)15-26-11-5-8-21(16-26)25-14-19-12-20-7-4-10-23(28-2)24(20)29-17-19/h3-4,6-7,9-10,12-13,21,25H,5,8,11,14-17H2,1-2H3/t21-/m1/s1
InChIKeyJHNJNJPHDIDPGS-OAQYLSRUSA-N
MW394.52 g/mol
LogP3.73
Rot. Bonds7

About (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine

(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 51633437) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID51633437
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1cccc(CN2CCC[C@@H](NCC3=Cc4cccc(OC)c4OC3)C2)c1
InChIInChI=1S/C24H30N2O3/c1-27-22-9-3-6-18(13-22)15-26-11-5-8-21(16-26)25-14-19-12-20-7-4-10-23(28-2)24(20)29-17-19/h3-4,6-7,9-10,12-13,21,25H,5,8,11,14-17H2,1-2H3/t21-/m1/s1
InChIKeyJHNJNJPHDIDPGS-OAQYLSRUSA-N
XLogP3.73
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine with MolForge

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Related Compounds

N-[(6-methoxy-2H-chromen-3-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 45169153
(3S)-1-[(3-methoxyphenyl)methyl]-N-[(3-methyl-1H-indol-2-yl)methyl]piperidin-3-amine
CID 92708760
1-benzyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-3-amine
CID 55684158
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 56701607
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
1-[(3-methoxyphenyl)methyl]-N-(2-naphthalen-1-ylethyl)pyrrolidin-3-amine
CID 142707470
(2R)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95219403
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
CID 55644626

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine (CID 51633437) is (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine is COc1cccc(CN2CCC[C@@H](NCC3=Cc4cccc(OC)c4OC3)C2)c1.
What is the InChIKey of (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is JHNJNJPHDIDPGS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-27-22-9-3-6-18(13-22)15-26-11-5-8-21(16-26)25-14-19-12-20-7-4-10-23(28-2)24(20)29-17-19/h3-4,6-7,9-10,12-13,21,25H,5,8,11,14-17H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine?
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 394.52 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 51633437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).