1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine

C13H25FN2 — CID 58364985

IUPAC1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
SMILESCC(C)(C)N1CCC(N2CCC(F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15/h11-12H,4-10H2,1-3H3
InChIKeyQCOVZFMLQUTPJV-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.29
Rot. Bonds1

About 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine

1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine (PubChem CID 58364985) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
PubChem CID58364985
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
SMILESCC(C)(C)N1CCC(N2CCC(F)C2)CC1
InChIInChI=1S/C13H25FN2/c1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15/h11-12H,4-10H2,1-3H3
InChIKeyQCOVZFMLQUTPJV-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine (CID 58364985) is 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine is CC(C)(C)N1CCC(N2CCC(F)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine?
The InChIKey is QCOVZFMLQUTPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-13(2,3)16-8-5-12(6-9-16)15-7-4-11(14)10-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine?
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine has a molecular weight of 228.35 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine is sourced from PubChem (CID 58364985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).