N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde

C12H20N2O2 — CID 142009439

IUPACN,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde
SMILESCNC1CCN(C)CC1.O=Cc1ccco1
InChIInChI=1S/C7H16N2.C5H4O2/c1-8-7-3-5-9(2)6-4-7;6-4-5-2-1-3-7-5/h7-8H,3-6H2,1-2H3;1-4H
InChIKeyKJYVHERAKAOEMZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.39
Rot. Bonds2

About N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde

N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde (PubChem CID 142009439) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde.

Molecular Properties

Compound NameN,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde
PubChem CID142009439
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde
SMILESCNC1CCN(C)CC1.O=Cc1ccco1
InChIInChI=1S/C7H16N2.C5H4O2/c1-8-7-3-5-9(2)6-4-7;6-4-5-2-1-3-7-5/h7-8H,3-6H2,1-2H3;1-4H
InChIKeyKJYVHERAKAOEMZ-UHFFFAOYSA-N
XLogP1.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carbaldehyde
CID 76972982
furan-2-carbaldehyde;nickel
CID 174724529
CID 175710332
CID 175710332
azane;furan-2-carbaldehyde
CID 19372392
furan-2-carbaldehyde;methoxymethane
CID 175302588
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
cyclohexanol;furan-2-carbaldehyde
CID 163769843
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
CID 171374623
CID 171374623
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
furan-2-carbaldehyde;nitromethane
CID 23020378

Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde?
The IUPAC name of N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde (CID 142009439) is N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde.
What is the SMILES notation for N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde?
The canonical SMILES for N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde is CNC1CCN(C)CC1.O=Cc1ccco1.
What is the InChIKey of N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde?
The InChIKey is KJYVHERAKAOEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C5H4O2/c1-8-7-3-5-9(2)6-4-7;6-4-5-2-1-3-7-5/h7-8H,3-6H2,1-2H3;1-4H.
What are the key properties of N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde?
N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde has a molecular weight of 224.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-4-amine;furan-2-carbaldehyde is sourced from PubChem (CID 142009439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).