(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone

C12H20N2O — CID 43556220

IUPAC(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
SMILESNC1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C12H20N2O/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11H,3-9,13H2
InChIKeyMIWMONFCSXTYKM-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.29
Rot. Bonds1

About (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone

(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone (PubChem CID 43556220) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
PubChem CID43556220
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
SMILESNC1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C12H20N2O/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11H,3-9,13H2
InChIKeyMIWMONFCSXTYKM-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
cyclohex-3-en-1-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371831
ethyl 4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazine-1-carboxylate
CID 94459894
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 94797927
4-[(1R)-cyclohex-3-ene-1-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501701
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
CID 99856666
cyclohex-3-en-1-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62370931
1-[(1S)-cyclohex-3-ene-1-carbonyl]azetidine-3-carbonitrile
CID 124891898
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
CID 86913113

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone?
The IUPAC name of (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone (CID 43556220) is (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone is NC1CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone?
The InChIKey is MIWMONFCSXTYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-6-8-14(9-7-11)12(15)10-4-2-1-3-5-10/h1-2,10-11H,3-9,13H2.
What are the key properties of (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone?
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone has a molecular weight of 208.30 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone is sourced from PubChem (CID 43556220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).