2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine

C109H156Cl5N25O8 — CID 157169286

About 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine

2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine (PubChem CID 157169286) has the molecular formula C109H156Cl5N25O8 and a molecular weight of 2121.88 g/mol. Its IUPAC name is 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine.

Molecular Properties

• Compound Name: 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
• PubChem CID: 157169286
• Molecular Formula: C109H156Cl5N25O8
• Molecular Weight: 2121.88 g/mol
• Exact Mass: 2118.10
• IUPAC Name: 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
• SMILES: CC(C)(O)[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.CCC(=O)[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.CCOC[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.COC(C)(C)[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.NC1=NN=C(N2CCC(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1
• InChI: InChI=1S/C23H34ClN5O2.2C22H32ClN5O2.C22H30ClN5O2.C20H28ClN5/c1-23(2,30-3)20-14-29(19(15-31-20)12-16-4-6-17(24)7-5-16)18-8-10-28(11-9-18)22-13-21(25)26-27-22;1-22(2,29)19-13-28(18(14-30-19)11-15-3-5-16(23)6-4-15)17-7-9-27(10-8-17)21-12-20(24)25-26-21;1-2-29-15-20-13-28(19(14-30-20)11-16-3-5-17(23)6-4-16)18-7-9-27(10-8-18)22-12-21(24)25-26-22;1-2-19(29)20-13-28(18(14-30-20)11-15-3-5-16(23)6-4-15)17-7-9-27(10-8-17)22-12-21(24)25-26-22;21-16-6-4-15(5-7-16)13-18-3-1-2-10-26(18)17-8-11-25(12-9-17)20-14-19(22)23-24-20/h4-7,18-20H,8-15H2,1-3H3,(H2,25,26);3-6,17-19,29H,7-14H2,1-2H3,(H2,24,25);3-6,18-20H,2,7-15H2,1H3,(H2,24,25);3-6,17-18,20H,2,7-14H2,1H3,(H2,24,25);4-7,17-18H,1-3,8-14H2,(H2,22,23)/t19-,20+;18-,19+;19-,20+;18-,20+;18-/m00001/s1
• InChIKey: ANGPUVKAUCITDQ-FAVNYFGYSA-N
• XLogP: 13.45
• TPSA: 378.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2121.88
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?

The IUPAC name of 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine (CID 157169286) is 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine.

What is the SMILES notation for 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?

The canonical SMILES for 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine is CC(C)(O)[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.CCC(=O)[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.CCOC[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.COC(C)(C)[C@H]1CN(C2CCN(C3=NN=C(N)C3)CC2)[C@@H](Cc2ccc(Cl)cc2)CO1.NC1=NN=C(N2CCC(N3CCCC[C@@H]3Cc3ccc(Cl)cc3)CC2)C1.

What is the InChIKey of 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?

The InChIKey is ANGPUVKAUCITDQ-FAVNYFGYSA-N. The full InChI is InChI=1S/C23H34ClN5O2.2C22H32ClN5O2.C22H30ClN5O2.C20H28ClN5/c1-23(2,30-3)20-14-29(19(15-31-20)12-16-4-6-17(24)7-5-16)18-8-10-28(11-9-18)22-13-21(25)26-27-22;1-22(2,29)19-13-28(18(14-30-19)11-15-3-5-16(23)6-4-15)17-7-9-27(10-8-17)21-12-20(24)25-26-21;1-2-29-15-20-13-28(19(14-30-20)11-16-3-5-17(23)6-4-16)18-7-9-27(10-8-18)22-12-21(24)25-26-22;1-2-19(29)20-13-28(18(14-30-20)11-15-3-5-16(23)6-4-15)17-7-9-27(10-8-17)22-12-21(24)25-26-22;21-16-6-4-15(5-7-16)13-18-3-1-2-10-26(18)17-8-11-25(12-9-17)20-14-19(22)23-24-20/h4-7,18-20H,8-15H2,1-3H3,(H2,25,26);3-6,17-19,29H,7-14H2,1-2H3,(H2,24,25);3-6,18-20H,2,7-15H2,1H3,(H2,24,25);3-6,17-18,20H,2,7-14H2,1H3,(H2,24,25);4-7,17-18H,1-3,8-14H2,(H2,22,23)/t19-,20+;18-,19+;19-,20+;18-,20+;18-/m00001/s1.

What are the key properties of 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine?

2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine has a molecular weight of 2121.88 g/mol, XLogP of 13.45, 23 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-2-ol;1-[(2R,5S)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]morpholin-2-yl]propan-1-one;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(ethoxymethyl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R,5S)-5-[(4-chlorophenyl)methyl]-2-(2-methoxypropan-2-yl)morpholin-4-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(2R)-2-[(4-chlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine is sourced from PubChem (CID 157169286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).