tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine

C19H35F2N3O2 — CID 176558582

IUPACtert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.FC1(F)CCCNC1
InChIInChI=1S/C14H26N2O2.C5H9F2N/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;6-5(7)2-1-3-8-4-5/h15H,4-11H2,1-3H3;8H,1-4H2
InChIKeySBFFIVBJGBXBFL-UHFFFAOYSA-N
MW375.50 g/mol
LogP3.39
Rot. Bonds

About tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine

tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine (PubChem CID 176558582) has the molecular formula C19H35F2N3O2 and a molecular weight of 375.50 g/mol. Its IUPAC name is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine.

Molecular Properties

Compound Nametert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine
PubChem CID176558582
Molecular FormulaC19H35F2N3O2
Molecular Weight375.50 g/mol
Exact Mass375.27
IUPAC Nametert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine
SMILESCC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.FC1(F)CCCNC1
InChIInChI=1S/C14H26N2O2.C5H9F2N/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;6-5(7)2-1-3-8-4-5/h15H,4-11H2,1-3H3;8H,1-4H2
InChIKeySBFFIVBJGBXBFL-UHFFFAOYSA-N
XLogP3.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 15296367
Tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;2,2,2-trifluoroacetic acid
CID 90042504
tert-Butyl 7,7-difluoro-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 105526240
Tert-butyl 4-ethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylate
CID 121450322
tert-butyl (6S,11S)-11-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 141481940
Tert-butyl 4-(1,1-difluoro-2-piperazin-1-ylethyl)piperidine-1-carboxylate
CID 156866730
Tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;2-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane
CID 159465603
Tert-butyl 2,2-difluoro-6-azaspiro[2.5]octane-6-carboxylate;2,2-difluoro-6-azaspiro[2.5]octane;hydrochloride
CID 159795047
Tert-butyl 3,3-difluoro-4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 169548850
Tert-butyl 4-[(3,3-difluoropiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 170629313
Tert-butyl 9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171832499
Tert-butyl 4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]piperidine-1-carboxylate;1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)piperidine
CID 175810514

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine?
The IUPAC name of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine (CID 176558582) is tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine.
What is the SMILES notation for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine?
The canonical SMILES for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine is CC(C)(C)OC(=O)N1CCC2(CCNCC2)CC1.FC1(F)CCCNC1.
What is the InChIKey of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine?
The InChIKey is SBFFIVBJGBXBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.C5H9F2N/c1-13(2,3)18-12(17)16-10-6-14(7-11-16)4-8-15-9-5-14;6-5(7)2-1-3-8-4-5/h15H,4-11H2,1-3H3;8H,1-4H2.
What are the key properties of tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine?
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine has a molecular weight of 375.50 g/mol, XLogP of 3.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;3,3-difluoropiperidine is sourced from PubChem (CID 176558582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).