1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine

C15H29FN2 — CID 168820923

IUPAC1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine
SMILESCC(C)(C)N1CC(N2CCC(F)CC2)CC1(C)C
InChIInChI=1S/C15H29FN2/c1-14(2,3)18-11-13(10-15(18,4)5)17-8-6-12(16)7-9-17/h12-13H,6-11H2,1-5H3
InChIKeyBSZBFDNZUVDUGL-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.07
Rot. Bonds1

About 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine

1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine (PubChem CID 168820923) has the molecular formula C15H29FN2 and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine
PubChem CID168820923
Molecular FormulaC15H29FN2
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine
SMILESCC(C)(C)N1CC(N2CCC(F)CC2)CC1(C)C
InChIInChI=1S/C15H29FN2/c1-14(2,3)18-11-13(10-15(18,4)5)17-8-6-12(16)7-9-17/h12-13H,6-11H2,1-5H3
InChIKeyBSZBFDNZUVDUGL-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine?
The IUPAC name of 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine (CID 168820923) is 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine.
What is the SMILES notation for 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine?
The canonical SMILES for 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine is CC(C)(C)N1CC(N2CCC(F)CC2)CC1(C)C.
What is the InChIKey of 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine?
The InChIKey is BSZBFDNZUVDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2/c1-14(2,3)18-11-13(10-15(18,4)5)17-8-6-12(16)7-9-17/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine?
1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine has a molecular weight of 256.41 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-4-fluoropiperidine is sourced from PubChem (CID 168820923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).