4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine

C15H25FN2 — CID 123309603

IUPAC4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
SMILESC=C(C=C(C)C1CCNCC1)N1CCC(C)(F)C1
InChIInChI=1S/C15H25FN2/c1-12(14-4-7-17-8-5-14)10-13(2)18-9-6-15(3,16)11-18/h10,14,17H,2,4-9,11H2,1,3H3
InChIKeyLXRGDBVJNSHDMU-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.88
Rot. Bonds3

About 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine

4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine (PubChem CID 123309603) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine.

Molecular Properties

Compound Name4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
PubChem CID123309603
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
SMILESC=C(C=C(C)C1CCNCC1)N1CCC(C)(F)C1
InChIInChI=1S/C15H25FN2/c1-12(14-4-7-17-8-5-14)10-13(2)18-9-6-15(3,16)11-18/h10,14,17H,2,4-9,11H2,1,3H3
InChIKeyLXRGDBVJNSHDMU-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine?
The IUPAC name of 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine (CID 123309603) is 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine.
What is the SMILES notation for 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine?
The canonical SMILES for 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine is C=C(C=C(C)C1CCNCC1)N1CCC(C)(F)C1.
What is the InChIKey of 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine?
The InChIKey is LXRGDBVJNSHDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(14-4-7-17-8-5-14)10-13(2)18-9-6-15(3,16)11-18/h10,14,17H,2,4-9,11H2,1,3H3.
What are the key properties of 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine?
4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine has a molecular weight of 252.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine is sourced from PubChem (CID 123309603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).