tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate

C15H27F2N3O2 — CID 172590956

IUPACtert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCNCC2(F)F)CC1
InChIInChI=1S/C15H27F2N3O2/c1-14(2,3)22-13(21)19-11-5-8-20(9-6-11)12-4-7-18-10-15(12,16)17/h11-12,18H,4-10H2,1-3H3,(H,19,21)
InChIKeyXHWOBDVXWJXIKL-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.97
Rot. Bonds2

About tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 172590956) has the molecular formula C15H27F2N3O2 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate
PubChem CID172590956
Molecular FormulaC15H27F2N3O2
Molecular Weight319.40 g/mol
Exact Mass319.21
IUPAC Nametert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCNCC2(F)F)CC1
InChIInChI=1S/C15H27F2N3O2/c1-14(2,3)22-13(21)19-11-5-8-20(9-6-11)12-4-7-18-10-15(12,16)17/h11-12,18H,4-10H2,1-3H3,(H,19,21)
InChIKeyXHWOBDVXWJXIKL-UHFFFAOYSA-N
XLogP1.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate (CID 172590956) is tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C2CCNCC2(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is XHWOBDVXWJXIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O2/c1-14(2,3)22-13(21)19-11-5-8-20(9-6-11)12-4-7-18-10-15(12,16)17/h11-12,18H,4-10H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3,3-difluoropiperidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 172590956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).