1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine

C16H30F2N2 — CID 129268293

IUPAC1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine
SMILESCC1CN(C2CCN(C(C)(C)C)CC2)CC(C)C1(F)F
InChIInChI=1S/C16H30F2N2/c1-12-10-19(11-13(2)16(12,17)18)14-6-8-20(9-7-14)15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyOEDGXDRCFLPAAT-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.47
Rot. Bonds1

About 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine

1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine (PubChem CID 129268293) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine
PubChem CID129268293
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine
SMILESCC1CN(C2CCN(C(C)(C)C)CC2)CC(C)C1(F)F
InChIInChI=1S/C16H30F2N2/c1-12-10-19(11-13(2)16(12,17)18)14-6-8-20(9-7-14)15(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyOEDGXDRCFLPAAT-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine (CID 129268293) is 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine is CC1CN(C2CCN(C(C)(C)C)CC2)CC(C)C1(F)F.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine?
The InChIKey is OEDGXDRCFLPAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2/c1-12-10-19(11-13(2)16(12,17)18)14-6-8-20(9-7-14)15(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine?
1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine has a molecular weight of 288.43 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine is sourced from PubChem (CID 129268293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).