1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane

C9H17FN2O — CID 172623481

IUPAC1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane
SMILESC=CC(=O)N1CCCC(N)C1.CF
InChIInChI=1S/C8H14N2O.CH3F/c1-2-8(11)10-5-3-4-7(9)6-10;1-2/h2,7H,1,3-6,9H2;1H3
InChIKeyUNWSMKZYVBISSY-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.71
Rot. Bonds1

About 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane

1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane (PubChem CID 172623481) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane
PubChem CID172623481
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane
SMILESC=CC(=O)N1CCCC(N)C1.CF
InChIInChI=1S/C8H14N2O.CH3F/c1-2-8(11)10-5-3-4-7(9)6-10;1-2/h2,7H,1,3-6,9H2;1H3
InChIKeyUNWSMKZYVBISSY-UHFFFAOYSA-N
XLogP0.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.71
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

1-(3-aminoazepan-1-yl)prop-2-en-1-one
CID 155149074
1-(3-aminopiperidin-1-yl)-3-methylbut-2-en-1-one
CID 61295908
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
1-(3-ethylazepan-1-yl)prop-2-en-1-one
CID 130328432
(2E,4E)-1-(3-aminopiperidin-1-yl)hexa-2,4-dien-1-one
CID 82234986
2-(1-prop-2-enoylpiperidin-3-yl)acetonitrile
CID 136572472
1-(3-aminoazetidin-1-yl)prop-2-en-1-one;ethane;molecular hydrogen
CID 144771107
ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
1-(3-aminopiperidin-1-yl)-2-methylprop-2-en-1-one
CID 123753405
(3-aminopiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 131532864
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane?
The IUPAC name of 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane (CID 172623481) is 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane is C=CC(=O)N1CCCC(N)C1.CF.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane?
The InChIKey is UNWSMKZYVBISSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.CH3F/c1-2-8(11)10-5-3-4-7(9)6-10;1-2/h2,7H,1,3-6,9H2;1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane?
1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane has a molecular weight of 188.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)prop-2-en-1-one;fluoromethane is sourced from PubChem (CID 172623481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).