1-tert-butyl-4-(fluoromethyl)piperidine

C10H20FN — CID 67505671

IUPAC1-tert-butyl-4-(fluoromethyl)piperidine
SMILESCC(C)(C)N1CCC(CF)CC1
InChIInChI=1S/C10H20FN/c1-10(2,3)12-6-4-9(8-11)5-7-12/h9H,4-8H2,1-3H3
InChIKeyATYBNVINHWKUMW-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.47
Rot. Bonds1

About 1-tert-butyl-4-(fluoromethyl)piperidine

1-tert-butyl-4-(fluoromethyl)piperidine (PubChem CID 67505671) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-tert-butyl-4-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(fluoromethyl)piperidine
PubChem CID67505671
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC Name1-tert-butyl-4-(fluoromethyl)piperidine
SMILESCC(C)(C)N1CCC(CF)CC1
InChIInChI=1S/C10H20FN/c1-10(2,3)12-6-4-9(8-11)5-7-12/h9H,4-8H2,1-3H3
InChIKeyATYBNVINHWKUMW-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-4-(fluoromethyl)piperidine (CID 67505671) is 1-tert-butyl-4-(fluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(fluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(fluoromethyl)piperidine is CC(C)(C)N1CCC(CF)CC1.
What is the InChIKey of 1-tert-butyl-4-(fluoromethyl)piperidine?
The InChIKey is ATYBNVINHWKUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-10(2,3)12-6-4-9(8-11)5-7-12/h9H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(fluoromethyl)piperidine?
1-tert-butyl-4-(fluoromethyl)piperidine has a molecular weight of 173.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(fluoromethyl)piperidine is sourced from PubChem (CID 67505671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).