3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine

C20H39F2NO — CID 177178872

IUPAC3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine
SMILESCC(C)OCCN1CCC(C(C)(C)CC(C)(C)C(C)C)C(F)(F)C1
InChIInChI=1S/C20H39F2NO/c1-15(2)18(5,6)13-19(7,8)17-9-10-23(14-20(17,21)22)11-12-24-16(3)4/h15-17H,9-14H2,1-8H3
InChIKeyBQGSXRSVJHTOIS-UHFFFAOYSA-N
MW347.53 g/mol
LogP5.47
Rot. Bonds8

About 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine

3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine (PubChem CID 177178872) has the molecular formula C20H39F2NO and a molecular weight of 347.53 g/mol. Its IUPAC name is 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine
PubChem CID177178872
Molecular FormulaC20H39F2NO
Molecular Weight347.53 g/mol
Exact Mass347.30
IUPAC Name3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine
SMILESCC(C)OCCN1CCC(C(C)(C)CC(C)(C)C(C)C)C(F)(F)C1
InChIInChI=1S/C20H39F2NO/c1-15(2)18(5,6)13-19(7,8)17-9-10-23(14-20(17,21)22)11-12-24-16(3)4/h15-17H,9-14H2,1-8H3
InChIKeyBQGSXRSVJHTOIS-UHFFFAOYSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine?
The IUPAC name of 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine (CID 177178872) is 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine is CC(C)OCCN1CCC(C(C)(C)CC(C)(C)C(C)C)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine?
The InChIKey is BQGSXRSVJHTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39F2NO/c1-15(2)18(5,6)13-19(7,8)17-9-10-23(14-20(17,21)22)11-12-24-16(3)4/h15-17H,9-14H2,1-8H3.
What are the key properties of 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine?
3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine has a molecular weight of 347.53 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine is sourced from PubChem (CID 177178872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).