N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid

C13H20N2O5 — CID 17053047

IUPACN-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
SMILESCN1CCC(NCc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H18N2O.C2H2O4/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11;3-1(4)2(5)6/h2-3,8,10,12H,4-7,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyMNVQGUFRLSYHKS-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.62
Rot. Bonds3

About N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid

N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid (PubChem CID 17053047) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
PubChem CID17053047
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC NameN-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
SMILESCN1CCC(NCc2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C11H18N2O.C2H2O4/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11;3-1(4)2(5)6/h2-3,8,10,12H,4-7,9H2,1H3;(H,3,4)(H,5,6)
InChIKeyMNVQGUFRLSYHKS-UHFFFAOYSA-N
XLogP0.62
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
CID 115699429
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-[3-(furan-2-ylmethoxy)propyl]-1-methylpiperidin-4-amine
CID 28681139
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-(furan-2-yl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910521
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
2-[[(1-methylpiperidin-4-yl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 103237803
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 24732704
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid?
The IUPAC name of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid (CID 17053047) is N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid is CN1CCC(NCc2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid?
The InChIKey is MNVQGUFRLSYHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H2O4/c1-13-6-4-10(5-7-13)12-9-11-3-2-8-14-11;3-1(4)2(5)6/h2-3,8,10,12H,4-7,9H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid?
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid has a molecular weight of 284.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid is sourced from PubChem (CID 17053047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).