4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

C17H31F2NO — CID 170777606

IUPAC4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(C(C)(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C17H31F2NO/c1-13(2)21-12-16(7-8-16)10-20-9-6-14(15(3,4)5)17(18,19)11-20/h13-14H,6-12H2,1-5H3
InChIKeySTJGAKFXRBVKSS-UHFFFAOYSA-N
MW303.44 g/mol
LogP4.19
Rot. Bonds5

About 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 170777606) has the molecular formula C17H31F2NO and a molecular weight of 303.44 g/mol. Its IUPAC name is 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID170777606
Molecular FormulaC17H31F2NO
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCC(C)OCC1(CN2CCC(C(C)(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C17H31F2NO/c1-13(2)21-12-16(7-8-16)10-20-9-6-14(15(3,4)5)17(18,19)11-20/h13-14H,6-12H2,1-5H3
InChIKeySTJGAKFXRBVKSS-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 170777606) is 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CC(C)OCC1(CN2CCC(C(C)(C)C)C(F)(F)C2)CC1.
What is the InChIKey of 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is STJGAKFXRBVKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F2NO/c1-13(2)21-12-16(7-8-16)10-20-9-6-14(15(3,4)5)17(18,19)11-20/h13-14H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 303.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 170777606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).