1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine

C14H27F2N3 — CID 176630065

IUPAC1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine
SMILESCC(C)(C)N1CCN(CC2CCNCC2(F)F)CC1
InChIInChI=1S/C14H27F2N3/c1-13(2,3)19-8-6-18(7-9-19)10-12-4-5-17-11-14(12,15)16/h12,17H,4-11H2,1-3H3
InChIKeyAAZUBMAZZGGUHZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.65
Rot. Bonds2

About 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine

1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine (PubChem CID 176630065) has the molecular formula C14H27F2N3 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine
PubChem CID176630065
Molecular FormulaC14H27F2N3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC Name1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine
SMILESCC(C)(C)N1CCN(CC2CCNCC2(F)F)CC1
InChIInChI=1S/C14H27F2N3/c1-13(2,3)19-8-6-18(7-9-19)10-12-4-5-17-11-14(12,15)16/h12,17H,4-11H2,1-3H3
InChIKeyAAZUBMAZZGGUHZ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine (CID 176630065) is 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine is CC(C)(C)N1CCN(CC2CCNCC2(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine?
The InChIKey is AAZUBMAZZGGUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N3/c1-13(2,3)19-8-6-18(7-9-19)10-12-4-5-17-11-14(12,15)16/h12,17H,4-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine?
1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine has a molecular weight of 275.39 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 176630065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).