1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one

C12H22N2O — CID 63250982

IUPAC1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-12(15)14-8-6-11(7-9-14)10-13-2/h3,11,13H,1,4-10H2,2H3
InChIKeyFPFZRNNTUCUCAY-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.41
Rot. Bonds5

About 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one

1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one (PubChem CID 63250982) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
PubChem CID63250982
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C12H22N2O/c1-3-4-5-12(15)14-8-6-11(7-9-14)10-13-2/h3,11,13H,1,4-10H2,2H3
InChIKeyFPFZRNNTUCUCAY-UHFFFAOYSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.41
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

1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
4,4,4-trifluoro-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119546844
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119542361
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119542360
1-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]pent-4-en-1-one
CID 46086884
ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one (CID 63250982) is 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC(CNC)CC1.
What is the InChIKey of 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one?
The InChIKey is FPFZRNNTUCUCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-12(15)14-8-6-11(7-9-14)10-13-2/h3,11,13H,1,4-10H2,2H3.
What are the key properties of 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one?
1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 63250982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).