2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine

C12H19FN2 — CID 91420953

IUPAC2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine
SMILESC=C(F)C(=C)N1CCC(=C(C)CN)CC1
InChIInChI=1S/C12H19FN2/c1-9(8-14)12-4-6-15(7-5-12)11(3)10(2)13/h2-8,14H2,1H3
InChIKeyGTPPUTLTWZOKMH-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.35
Rot. Bonds3

About 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine

2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine (PubChem CID 91420953) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine.

Molecular Properties

Compound Name2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine
PubChem CID91420953
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine
SMILESC=C(F)C(=C)N1CCC(=C(C)CN)CC1
InChIInChI=1S/C12H19FN2/c1-9(8-14)12-4-6-15(7-5-12)11(3)10(2)13/h2-8,14H2,1H3
InChIKeyGTPPUTLTWZOKMH-UHFFFAOYSA-N
XLogP2.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine?
The IUPAC name of 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine (CID 91420953) is 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine.
What is the SMILES notation for 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine?
The canonical SMILES for 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine is C=C(F)C(=C)N1CCC(=C(C)CN)CC1.
What is the InChIKey of 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine?
The InChIKey is GTPPUTLTWZOKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(8-14)12-4-6-15(7-5-12)11(3)10(2)13/h2-8,14H2,1H3.
What are the key properties of 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine?
2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorobuta-1,3-dien-2-yl)piperidin-4-ylidene]propan-1-amine is sourced from PubChem (CID 91420953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).