1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine

C12H22FN — CID 89140664

IUPAC1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(CCCCF)CC1
InChIInChI=1S/C12H22FN/c1-11(2)12-5-9-14(10-6-12)8-4-3-7-13/h12H,1,3-10H2,2H3
InChIKeyOSGRBDVCUSHDPK-UHFFFAOYSA-N
MW199.31 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine

1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine (PubChem CID 89140664) has the molecular formula C12H22FN and a molecular weight of 199.31 g/mol. Its IUPAC name is 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine
PubChem CID89140664
Molecular FormulaC12H22FN
Molecular Weight199.31 g/mol
Exact Mass199.17
IUPAC Name1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(CCCCF)CC1
InChIInChI=1S/C12H22FN/c1-11(2)12-5-9-14(10-6-12)8-4-3-7-13/h12H,1,3-10H2,2H3
InChIKeyOSGRBDVCUSHDPK-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine (CID 89140664) is 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine is C=C(C)C1CCN(CCCCF)CC1.
What is the InChIKey of 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
The InChIKey is OSGRBDVCUSHDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN/c1-11(2)12-5-9-14(10-6-12)8-4-3-7-13/h12H,1,3-10H2,2H3.
What are the key properties of 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine has a molecular weight of 199.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutyl)-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 89140664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).