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

C16H30F2N2 — CID 154670052

IUPAC4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C16H30F2N2/c1-12(2)9-14-10-20(11-16(14,17)18)15-5-7-19(8-6-15)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyVGCYLBHOELIQPF-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.47
Rot. Bonds4

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

4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine (PubChem CID 154670052) has the molecular formula C16H30F2N2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
PubChem CID154670052
Molecular FormulaC16H30F2N2
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine
SMILESCC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C16H30F2N2/c1-12(2)9-14-10-20(11-16(14,17)18)15-5-7-19(8-6-15)13(3)4/h12-15H,5-11H2,1-4H3
InChIKeyVGCYLBHOELIQPF-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine (CID 154670052) is 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine is CC(C)CC1CN(C2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
The InChIKey is VGCYLBHOELIQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2/c1-12(2)9-14-10-20(11-16(14,17)18)15-5-7-19(8-6-15)13(3)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine?
4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine has a molecular weight of 288.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 154670052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).