oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate

C18H26N2O6 — CID 3044633

IUPACoxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate
SMILESCCCOC(=O)C1(N)CCN(Cc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O2.C2H2O4/c1-2-12-20-15(19)16(17)8-10-18(11-9-16)13-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7H,2,8-13,17H2,1H3;(H,3,4)(H,5,6)
InChIKeyFFOSYDRDFRXNBY-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.09
Rot. Bonds5

About oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate

oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate (PubChem CID 3044633) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameoxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate
PubChem CID3044633
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Nameoxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate
SMILESCCCOC(=O)C1(N)CCN(Cc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H24N2O2.C2H2O4/c1-2-12-20-15(19)16(17)8-10-18(11-9-16)13-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7H,2,8-13,17H2,1H3;(H,3,4)(H,5,6)
InChIKeyFFOSYDRDFRXNBY-UHFFFAOYSA-N
XLogP1.09
TPSA130.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate?
The IUPAC name of oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate (CID 3044633) is oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate?
The canonical SMILES for oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate is CCCOC(=O)C1(N)CCN(Cc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate?
The InChIKey is FFOSYDRDFRXNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.C2H2O4/c1-2-12-20-15(19)16(17)8-10-18(11-9-16)13-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7H,2,8-13,17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate?
oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;propyl 4-amino-1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 3044633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).