3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride

C13H28Cl2F2N4 — CID 157089662

IUPAC3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride
SMILESCN1CCN(C2CCCNC2)CC1.Cl.Cl.FC1(F)CNC1
InChIInChI=1S/C10H21N3.C3H5F2N.2ClH/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;4-3(5)1-6-2-3;;/h10-11H,2-9H2,1H3;6H,1-2H2;2*1H
InChIKeySSNSSLDQDOLXPA-UHFFFAOYSA-N
MW349.30 g/mol
LogP1.05
Rot. Bonds1

About 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride

3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride (PubChem CID 157089662) has the molecular formula C13H28Cl2F2N4 and a molecular weight of 349.30 g/mol. Its IUPAC name is 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride
PubChem CID157089662
Molecular FormulaC13H28Cl2F2N4
Molecular Weight349.30 g/mol
Exact Mass348.17
IUPAC Name3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride
SMILESCN1CCN(C2CCCNC2)CC1.Cl.Cl.FC1(F)CNC1
InChIInChI=1S/C10H21N3.C3H5F2N.2ClH/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;4-3(5)1-6-2-3;;/h10-11H,2-9H2,1H3;6H,1-2H2;2*1H
InChIKeySSNSSLDQDOLXPA-UHFFFAOYSA-N
XLogP1.05
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride?
The IUPAC name of 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride (CID 157089662) is 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride.
What is the SMILES notation for 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride?
The canonical SMILES for 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride is CN1CCN(C2CCCNC2)CC1.Cl.Cl.FC1(F)CNC1.
What is the InChIKey of 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride?
The InChIKey is SSNSSLDQDOLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3.C3H5F2N.2ClH/c1-12-5-7-13(8-6-12)10-3-2-4-11-9-10;4-3(5)1-6-2-3;;/h10-11H,2-9H2,1H3;6H,1-2H2;2*1H.
What are the key properties of 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride?
3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride has a molecular weight of 349.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine;1-methyl-4-piperidin-3-ylpiperazine;dihydrochloride is sourced from PubChem (CID 157089662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).