1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine

C10H18FN — CID 121440822

IUPAC1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine
SMILESC/C=C\CN1CCC(C)(F)CC1
InChIInChI=1S/C10H18FN/c1-3-4-7-12-8-5-10(2,11)6-9-12/h3-4H,5-9H2,1-2H3/b4-3-
InChIKeyRLSXDTKZLCMVGU-ARJAWSKDSA-N
MW171.26 g/mol
LogP2.39
Rot. Bonds2

About 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine

1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine (PubChem CID 121440822) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine
PubChem CID121440822
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine
SMILESC/C=C\CN1CCC(C)(F)CC1
InChIInChI=1S/C10H18FN/c1-3-4-7-12-8-5-10(2,11)6-9-12/h3-4H,5-9H2,1-2H3/b4-3-
InChIKeyRLSXDTKZLCMVGU-ARJAWSKDSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine?
The IUPAC name of 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine (CID 121440822) is 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine?
The canonical SMILES for 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine is C/C=C\CN1CCC(C)(F)CC1.
What is the InChIKey of 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine?
The InChIKey is RLSXDTKZLCMVGU-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-4-7-12-8-5-10(2,11)6-9-12/h3-4H,5-9H2,1-2H3/b4-3-.
What are the key properties of 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine?
1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-4-fluoro-4-methylpiperidine is sourced from PubChem (CID 121440822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).