1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one

C12H22N2O — CID 164632195

IUPAC1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
SMILESCCC=C(C)C(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C12H22N2O/c1-3-6-10(2)12(15)14-8-5-4-7-11(14)9-13/h6,11H,3-5,7-9,13H2,1-2H3/t11-/m1/s1
InChIKeyVNLCUFUENCTAFX-LLVKDONJSA-N
MW210.32 g/mol
LogP1.68
Rot. Bonds3

About 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one

1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one (PubChem CID 164632195) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
PubChem CID164632195
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
SMILESCCC=C(C)C(=O)N1CCCC[C@@H]1CN
InChIInChI=1S/C12H22N2O/c1-3-6-10(2)12(15)14-8-5-4-7-11(14)9-13/h6,11H,3-5,7-9,13H2,1-2H3/t11-/m1/s1
InChIKeyVNLCUFUENCTAFX-LLVKDONJSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 71896948
2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 72052087
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 94151524
(E)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 97540193
4-[(3S)-3-aminopiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 97894208
1-methyl-N-(1-methylpiperidin-3-yl)-6-oxopyridine-3-carboxamide
CID 121558710
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
N-[1-(3-ethylpent-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989550
N-[(3R,6R)-1-(3-ethylpent-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129536138
N-[(3R,6S)-1-(3-ethylpent-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129536139
N-[(3S,6R)-1-(3-ethylpent-2-enoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129536140

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one?
The IUPAC name of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one (CID 164632195) is 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one is CCC=C(C)C(=O)N1CCCC[C@@H]1CN.
What is the InChIKey of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one?
The InChIKey is VNLCUFUENCTAFX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-6-10(2)12(15)14-8-5-4-7-11(14)9-13/h6,11H,3-5,7-9,13H2,1-2H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one?
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one is sourced from PubChem (CID 164632195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).