4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine

C10H17FN2 — CID 134365634

IUPAC4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine
SMILESC/C(=C\C=C\F)C1CCN(N)CC1
InChIInChI=1S/C10H17FN2/c1-9(3-2-6-11)10-4-7-13(12)8-5-10/h2-3,6,10H,4-5,7-8,12H2,1H3/b6-2+,9-3+
InChIKeyHFTHITGBQNSQCB-YGQDEOHPSA-N
MW184.26 g/mol
LogP2.00
Rot. Bonds2

About 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine

4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine (PubChem CID 134365634) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine.

Molecular Properties

Compound Name4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine
PubChem CID134365634
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine
SMILESC/C(=C\C=C\F)C1CCN(N)CC1
InChIInChI=1S/C10H17FN2/c1-9(3-2-6-11)10-4-7-13(12)8-5-10/h2-3,6,10H,4-5,7-8,12H2,1H3/b6-2+,9-3+
InChIKeyHFTHITGBQNSQCB-YGQDEOHPSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine?
The IUPAC name of 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine (CID 134365634) is 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine.
What is the SMILES notation for 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine?
The canonical SMILES for 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine is C/C(=C\C=C\F)C1CCN(N)CC1.
What is the InChIKey of 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine?
The InChIKey is HFTHITGBQNSQCB-YGQDEOHPSA-N. The full InChI is InChI=1S/C10H17FN2/c1-9(3-2-6-11)10-4-7-13(12)8-5-10/h2-3,6,10H,4-5,7-8,12H2,1H3/b6-2+,9-3+.
What are the key properties of 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine?
4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine has a molecular weight of 184.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine is sourced from PubChem (CID 134365634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).