1-(4-fluoropiperidin-1-yl)butan-1-imine

C9H17FN2 — CID 164659459

IUPAC1-(4-fluoropiperidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCC(F)CC1
InChIInChI=1S/C9H17FN2/c1-2-3-9(11)12-6-4-8(10)5-7-12/h8,11H,2-7H2,1H3/b11-9+
InChIKeyFWARCWJFEUNQTL-PKNBQFBNSA-N
MW172.25 g/mol
LogP2.20
Rot. Bonds2

About 1-(4-fluoropiperidin-1-yl)butan-1-imine

1-(4-fluoropiperidin-1-yl)butan-1-imine (PubChem CID 164659459) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(4-fluoropiperidin-1-yl)butan-1-imine.

Molecular Properties

Compound Name1-(4-fluoropiperidin-1-yl)butan-1-imine
PubChem CID164659459
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-(4-fluoropiperidin-1-yl)butan-1-imine
SMILES[H]/N=C(\CCC)N1CCC(F)CC1
InChIInChI=1S/C9H17FN2/c1-2-3-9(11)12-6-4-8(10)5-7-12/h8,11H,2-7H2,1H3/b11-9+
InChIKeyFWARCWJFEUNQTL-PKNBQFBNSA-N
XLogP2.20
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropiperidin-1-yl)butan-1-imine?
The IUPAC name of 1-(4-fluoropiperidin-1-yl)butan-1-imine (CID 164659459) is 1-(4-fluoropiperidin-1-yl)butan-1-imine.
What is the SMILES notation for 1-(4-fluoropiperidin-1-yl)butan-1-imine?
The canonical SMILES for 1-(4-fluoropiperidin-1-yl)butan-1-imine is [H]/N=C(\CCC)N1CCC(F)CC1.
What is the InChIKey of 1-(4-fluoropiperidin-1-yl)butan-1-imine?
The InChIKey is FWARCWJFEUNQTL-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H17FN2/c1-2-3-9(11)12-6-4-8(10)5-7-12/h8,11H,2-7H2,1H3/b11-9+.
What are the key properties of 1-(4-fluoropiperidin-1-yl)butan-1-imine?
1-(4-fluoropiperidin-1-yl)butan-1-imine has a molecular weight of 172.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropiperidin-1-yl)butan-1-imine is sourced from PubChem (CID 164659459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).