tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate

C16H29N3O2 — CID 98051504

IUPACtert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2[C@@H]3CC[C@@H]2CNC3)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)21-15(20)18-8-6-12(7-9-18)19-13-4-5-14(19)11-17-10-13/h12-14,17H,4-11H2,1-3H3/t13-,14-/m1/s1
InChIKeySYHFFGHGMBRCEP-ZIAGYGMSSA-N
MW295.43 g/mol
LogP1.82
Rot. Bonds1

About tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate

tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate (PubChem CID 98051504) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate
PubChem CID98051504
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2[C@@H]3CC[C@@H]2CNC3)CC1
InChIInChI=1S/C16H29N3O2/c1-16(2,3)21-15(20)18-8-6-12(7-9-18)19-13-4-5-14(19)11-17-10-13/h12-14,17H,4-11H2,1-3H3/t13-,14-/m1/s1
InChIKeySYHFFGHGMBRCEP-ZIAGYGMSSA-N
XLogP1.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 8-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;ethane
CID 153403871
tert-butyl 4-piperazin-1-ylpiperidine-1-carboxylate;dihydrochloride
CID 68579096
tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate;oxalic acid
CID 175718664
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 3-(azetidin-3-yloxy)pyrrolidine-1-carboxylate
CID 167488557
tert-butyl 3-piperazin-1-ylpyrrolidine-1-carboxylate
CID 53216205
tert-butyl 4-[(2S)-2-ethylpiperazin-1-yl]piperidine-1-carboxylate
CID 59427777
tert-butyl 8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-3-carboxylate;8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;trihydrochloride
CID 164978891
tert-butyl (1S,5R)-2,7-diazabicyclo[3.3.1]nonane-2-carboxylate
CID 95396699
tert-butyl 4-(4,4-dimethylpiperidin-1-yl)piperidine-1-carboxylate
CID 22179860
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate (CID 98051504) is tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2[C@@H]3CC[C@@H]2CNC3)CC1.
What is the InChIKey of tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate?
The InChIKey is SYHFFGHGMBRCEP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2,3)21-15(20)18-8-6-12(7-9-18)19-13-4-5-14(19)11-17-10-13/h12-14,17H,4-11H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate?
tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate has a molecular weight of 295.43 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate is sourced from PubChem (CID 98051504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).