(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine

C11H18FN — CID 144607830

IUPAC(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine
SMILESC=C(/C=C\C)CN1CCC[C@@H](F)C1
InChIInChI=1S/C11H18FN/c1-3-5-10(2)8-13-7-4-6-11(12)9-13/h3,5,11H,2,4,6-9H2,1H3/b5-3-/t11-/m1/s1
InChIKeyHGGAWOZVDPSPES-USEMIUTHSA-N
MW183.27 g/mol
LogP2.55
Rot. Bonds3

About (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine

(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine (PubChem CID 144607830) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine.

Molecular Properties

Compound Name(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine
PubChem CID144607830
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine
SMILESC=C(/C=C\C)CN1CCC[C@@H](F)C1
InChIInChI=1S/C11H18FN/c1-3-5-10(2)8-13-7-4-6-11(12)9-13/h3,5,11H,2,4,6-9H2,1H3/b5-3-/t11-/m1/s1
InChIKeyHGGAWOZVDPSPES-USEMIUTHSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The IUPAC name of (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine (CID 144607830) is (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine.
What is the SMILES notation for (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The canonical SMILES for (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine is C=C(/C=C\C)CN1CCC[C@@H](F)C1.
What is the InChIKey of (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
The InChIKey is HGGAWOZVDPSPES-USEMIUTHSA-N. The full InChI is InChI=1S/C11H18FN/c1-3-5-10(2)8-13-7-4-6-11(12)9-13/h3,5,11H,2,4,6-9H2,1H3/b5-3-/t11-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine?
(3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine has a molecular weight of 183.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-[(Z)-2-methylidenepent-3-enyl]piperidine is sourced from PubChem (CID 144607830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).