4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine

C9H16FN — CID 156519042

IUPAC4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1(F)CCN(C)CC1
InChIInChI=1S/C9H16FN/c1-3-4-9(10)5-7-11(2)8-6-9/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyKTOJOYFGHUHPGT-ONEGZZNKSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds1

About 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine

4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine (PubChem CID 156519042) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine
PubChem CID156519042
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1(F)CCN(C)CC1
InChIInChI=1S/C9H16FN/c1-3-4-9(10)5-7-11(2)8-6-9/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyKTOJOYFGHUHPGT-ONEGZZNKSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
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 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine (CID 156519042) is 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine is C/C=C/C1(F)CCN(C)CC1.
What is the InChIKey of 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine?
The InChIKey is KTOJOYFGHUHPGT-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-9(10)5-7-11(2)8-6-9/h3-4H,5-8H2,1-2H3/b4-3+.
What are the key properties of 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine?
4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 156519042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).