N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine

C21H28N4O — CID 171540040

IUPACN-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)c1
InChIInChI=1S/C21H28N4O/c1-17-4-2-6-19(14-17)25-9-3-5-18(16-25)23-21-15-20(7-8-22-21)24-10-12-26-13-11-24/h2,4,6-8,14-15,18H,3,5,9-13,16H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyPNMFSOWGTPFOPI-GOSISDBHSA-N
MW352.48 g/mol
LogP3.31
Rot. Bonds4

About N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine

N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine (PubChem CID 171540040) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
PubChem CID171540040
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine
SMILESCc1cccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)c1
InChIInChI=1S/C21H28N4O/c1-17-4-2-6-19(14-17)25-9-3-5-18(16-25)23-21-15-20(7-8-22-21)24-10-12-26-13-11-24/h2,4,6-8,14-15,18H,3,5,9-13,16H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyPNMFSOWGTPFOPI-GOSISDBHSA-N
XLogP3.31
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The IUPAC name of N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine (CID 171540040) is N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine.
What is the SMILES notation for N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The canonical SMILES for N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine is Cc1cccc(N2CCC[C@@H](Nc3cc(N4CCOCC4)ccn3)C2)c1.
What is the InChIKey of N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
The InChIKey is PNMFSOWGTPFOPI-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-4-2-6-19(14-17)25-9-3-5-18(16-25)23-21-15-20(7-8-22-21)24-10-12-26-13-11-24/h2,4,6-8,14-15,18H,3,5,9-13,16H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine?
N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine has a molecular weight of 352.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methylphenyl)piperidin-3-yl]-4-morpholin-4-ylpyridin-2-amine is sourced from PubChem (CID 171540040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).