N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid

C14H22N2O4S — CID 2838357

IUPACN,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid
SMILESCN1CCC(N(C)Cc2cccs2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H20N2S.C2H2O4/c1-13-7-5-11(6-8-13)14(2)10-12-4-3-9-15-12;3-1(4)2(5)6/h3-4,9,11H,5-8,10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVSJZDLHSXJSAGK-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.43
Rot. Bonds3

About N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid

N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid (PubChem CID 2838357) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid.

Molecular Properties

Compound NameN,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid
PubChem CID2838357
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid
SMILESCN1CCC(N(C)Cc2cccs2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C12H20N2S.C2H2O4/c1-13-7-5-11(6-8-13)14(2)10-12-4-3-9-15-12;3-1(4)2(5)6/h3-4,9,11H,5-8,10H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVSJZDLHSXJSAGK-UHFFFAOYSA-N
XLogP1.43
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid?
The IUPAC name of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid (CID 2838357) is N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid.
What is the SMILES notation for N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid?
The canonical SMILES for N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid is CN1CCC(N(C)Cc2cccs2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid?
The InChIKey is VSJZDLHSXJSAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.C2H2O4/c1-13-7-5-11(6-8-13)14(2)10-12-4-3-9-15-12;3-1(4)2(5)6/h3-4,9,11H,5-8,10H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid?
N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid has a molecular weight of 314.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;oxalic acid is sourced from PubChem (CID 2838357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).