1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one

C10H17FN2O — CID 123325579

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C10H17FN2O/c1-8(11)10(14)13-6-4-5-9(7-13)12(2)3/h9H,1,4-7H2,2-3H3
InChIKeyMQZSEMVVVFCFLF-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.02
Rot. Bonds2

About 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one

1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one (PubChem CID 123325579) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one
PubChem CID123325579
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C10H17FN2O/c1-8(11)10(14)13-6-4-5-9(7-13)12(2)3/h9H,1,4-7H2,2-3H3
InChIKeyMQZSEMVVVFCFLF-UHFFFAOYSA-N
XLogP1.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one (CID 123325579) is 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one is C=C(F)C(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
The InChIKey is MQZSEMVVVFCFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-8(11)10(14)13-6-4-5-9(7-13)12(2)3/h9H,1,4-7H2,2-3H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one?
1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one has a molecular weight of 200.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 123325579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).