1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine

C16H28F4N2 — CID 134476720

IUPAC1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine
SMILESCC(C)(N1CCC(F)(F)CC1)C(C)(C)N1CCCC(F)(F)C1
InChIInChI=1S/C16H28F4N2/c1-13(2,21-10-7-15(17,18)8-11-21)14(3,4)22-9-5-6-16(19,20)12-22/h5-12H2,1-4H3
InChIKeyZXIONMORNLBDQS-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.01
Rot. Bonds3

About 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine

1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine (PubChem CID 134476720) has the molecular formula C16H28F4N2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine
PubChem CID134476720
Molecular FormulaC16H28F4N2
Molecular Weight324.41 g/mol
Exact Mass324.22
IUPAC Name1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine
SMILESCC(C)(N1CCC(F)(F)CC1)C(C)(C)N1CCCC(F)(F)C1
InChIInChI=1S/C16H28F4N2/c1-13(2,21-10-7-15(17,18)8-11-21)14(3,4)22-9-5-6-16(19,20)12-22/h5-12H2,1-4H3
InChIKeyZXIONMORNLBDQS-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine?
The IUPAC name of 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine (CID 134476720) is 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine is CC(C)(N1CCC(F)(F)CC1)C(C)(C)N1CCCC(F)(F)C1.
What is the InChIKey of 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine?
The InChIKey is ZXIONMORNLBDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F4N2/c1-13(2,21-10-7-15(17,18)8-11-21)14(3,4)22-9-5-6-16(19,20)12-22/h5-12H2,1-4H3.
What are the key properties of 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine?
1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine has a molecular weight of 324.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-difluoropiperidin-1-yl)-2,3-dimethylbutan-2-yl]-4,4-difluoropiperidine is sourced from PubChem (CID 134476720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).