(2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine

C68H121N14O24+ — CID 162042984

About (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine

(2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine (PubChem CID 162042984) has the molecular formula C68H121N14O24+ and a molecular weight of 1518.79 g/mol. Its IUPAC name is (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine.

Molecular Properties

• Compound Name: (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine
• PubChem CID: 162042984
• Molecular Formula: C68H121N14O24+
• Molecular Weight: 1518.79 g/mol
• Exact Mass: 1517.87
• IUPAC Name: (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine
• SMILES: C1CCNCC1.CNCCC(=O)c1cn([C@H]2C[C@@H](OC)[C@@H](COC)O2)c(=O)[nH]c1=O.COC[C@@H](O)[C@@H](CC=[N+]1CCCCC1)OC.COC[C@H]1O[C@@H](NC(N)=O)C[C@H]1OC.COC[C@H]1O[C@@H](n2cc(C(=O)CCN(C)C)c(=O)[nH]c2=O)C[C@H]1OC.COC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OC.NN
• InChI: InChI=1S/C16H25N3O6.C15H23N3O6.C12H18N2O5.C12H24NO3.C8H16N2O4.C5H11N.H4N2/c1-18(2)6-5-11(20)10-8-19(16(22)17-15(10)21)14-7-12(24-4)13(25-14)9-23-3;1-16-5-4-10(19)9-7-18(15(21)17-14(9)20)13-6-11(23-3)12(24-13)8-22-2;1-7-5-14(12(16)13-11(7)15)10-4-8(18-3)9(19-10)6-17-2;1-15-10-11(14)12(16-2)6-9-13-7-4-3-5-8-13;1-12-4-6-5(13-2)3-7(14-6)10-8(9)11;1-2-4-6-5-3-1;1-2/h8,12-14H,5-7,9H2,1-4H3,(H,17,21,22);7,11-13,16H,4-6,8H2,1-3H3,(H,17,20,21);5,8-10H,4,6H2,1-3H3,(H,13,15,16);9,11-12,14H,3-8,10H2,1-2H3;5-7H,3-4H2,1-2H3,(H3,9,10,11);6H,1-5H2;1-2H2/q;;;+1;;;/t12-,13-,14-;11-,12-,13-;8-,9-,10-;11-,12-;5-,6-,7-;;/m11111../s1
• InChIKey: YXNIAYSKHCAYRC-QXHUTFQUSA-N
• XLogP: -1.63
• TPSA: 485.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.79
LogP ≤ 5	-1.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine?

The IUPAC name of (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine (CID 162042984) is (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine.

What is the SMILES notation for (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine?

The canonical SMILES for (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine is C1CCNCC1.CNCCC(=O)c1cn([C@H]2C[C@@H](OC)[C@@H](COC)O2)c(=O)[nH]c1=O.COC[C@@H](O)[C@@H](CC=[N+]1CCCCC1)OC.COC[C@H]1O[C@@H](NC(N)=O)C[C@H]1OC.COC[C@H]1O[C@@H](n2cc(C(=O)CCN(C)C)c(=O)[nH]c2=O)C[C@H]1OC.COC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1OC.NN.

What is the InChIKey of (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine?

The InChIKey is YXNIAYSKHCAYRC-QXHUTFQUSA-N. The full InChI is InChI=1S/C16H25N3O6.C15H23N3O6.C12H18N2O5.C12H24NO3.C8H16N2O4.C5H11N.H4N2/c1-18(2)6-5-11(20)10-8-19(16(22)17-15(10)21)14-7-12(24-4)13(25-14)9-23-3;1-16-5-4-10(19)9-7-18(15(21)17-14(9)20)13-6-11(23-3)12(24-13)8-22-2;1-7-5-14(12(16)13-11(7)15)10-4-8(18-3)9(19-10)6-17-2;1-15-10-11(14)12(16-2)6-9-13-7-4-3-5-8-13;1-12-4-6-5(13-2)3-7(14-6)10-8(9)11;1-2-4-6-5-3-1;1-2/h8,12-14H,5-7,9H2,1-4H3,(H,17,21,22);7,11-13,16H,4-6,8H2,1-3H3,(H,17,20,21);5,8-10H,4,6H2,1-3H3,(H,13,15,16);9,11-12,14H,3-8,10H2,1-2H3;5-7H,3-4H2,1-2H3,(H3,9,10,11);6H,1-5H2;1-2H2/q;;;+1;;;/t12-,13-,14-;11-,12-,13-;8-,9-,10-;11-,12-;5-,6-,7-;;/m11111../s1.

What are the key properties of (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine?

(2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine has a molecular weight of 1518.79 g/mol, XLogP of -1.63, 30 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-1,3-dimethoxy-5-piperidin-1-ium-1-ylidenepentan-2-ol;5-[3-(dimethylamino)propanoyl]-1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrazine;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-[3-(methylamino)propanoyl]pyrimidine-2,4-dione;1-[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea;piperidine is sourced from PubChem (CID 162042984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).