1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine

C15H28F2N2 — CID 146177169

IUPAC1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine
SMILESCC(CN1CCC(C)(C)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H28F2N2/c1-13(19-10-6-15(16,17)7-11-19)12-18-8-4-14(2,3)5-9-18/h13H,4-12H2,1-3H3
InChIKeySMIQMFRAOOQVAH-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.23
Rot. Bonds3

About 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine

1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine (PubChem CID 146177169) has the molecular formula C15H28F2N2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine
PubChem CID146177169
Molecular FormulaC15H28F2N2
Molecular Weight274.40 g/mol
Exact Mass274.22
IUPAC Name1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine
SMILESCC(CN1CCC(C)(C)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C15H28F2N2/c1-13(19-10-6-15(16,17)7-11-19)12-18-8-4-14(2,3)5-9-18/h13H,4-12H2,1-3H3
InChIKeySMIQMFRAOOQVAH-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine (CID 146177169) is 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine is CC(CN1CCC(C)(C)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine?
The InChIKey is SMIQMFRAOOQVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2/c1-13(19-10-6-15(16,17)7-11-19)12-18-8-4-14(2,3)5-9-18/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine?
1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine has a molecular weight of 274.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine is sourced from PubChem (CID 146177169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).