3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine

C17H32F2N2 — CID 154672559

IUPAC3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1
InChIInChI=1S/C17H32F2N2/c1-13(2)11-15-5-8-20(9-6-15)16-7-10-21(14(3)4)12-17(16,18)19/h13-16H,5-12H2,1-4H3
InChIKeyQZGUMMAPLLDXME-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.86
Rot. Bonds4

About 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine

3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 154672559) has the molecular formula C17H32F2N2 and a molecular weight of 302.45 g/mol. Its IUPAC name is 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID154672559
Molecular FormulaC17H32F2N2
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1
InChIInChI=1S/C17H32F2N2/c1-13(2)11-15-5-8-20(9-6-15)16-7-10-21(14(3)4)12-17(16,18)19/h13-16H,5-12H2,1-4H3
InChIKeyQZGUMMAPLLDXME-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine (CID 154672559) is 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine is CC(C)CC1CCN(C2CCN(C(C)C)CC2(F)F)CC1.
What is the InChIKey of 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is QZGUMMAPLLDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2/c1-13(2)11-15-5-8-20(9-6-15)16-7-10-21(14(3)4)12-17(16,18)19/h13-16H,5-12H2,1-4H3.
What are the key properties of 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine?
3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 302.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 154672559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).