8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C19H34N2O4 — CID 160923095

IUPAC8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(O)C2.OC1CC2CCC(C1)N2
InChIInChI=1S/C12H21NO3.C7H13NO/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;9-7-3-5-1-2-6(4-7)8-5/h8-10,14H,4-7H2,1-3H3;5-9H,1-4H2
InChIKeySSHALMBOGQGIPO-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.17
Rot. Bonds

About 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 160923095) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID160923095
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1C2CCC1CC(O)C2.OC1CC2CCC(C1)N2
InChIInChI=1S/C12H21NO3.C7H13NO/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;9-7-3-5-1-2-6(4-7)8-5/h8-10,14H,4-7H2,1-3H3;5-9H,1-4H2
InChIKeySSHALMBOGQGIPO-UHFFFAOYSA-N
XLogP2.17
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

{1-[2-(3-Hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841981
Tert-butyl 3-([3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]carbonylamino)piperidine-1-carboxylate
CID 69524229
tert-butyl (1S,5R)-3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70661546
Tert-butyl 3-piperidin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 77892100
tert-Butyl (3S)-3-({[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]carbonyl}amino)piperidine-1-carboxylate
CID 86605311
tert-butyl (3S)-3-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]piperidine-1-carboxylate
CID 91468690
tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 158067862
tert-butyl (1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate;(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 159058244
sodium;1-bromopropane;tert-butyl (5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (5S)-3-propoxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydride;(5S)-3-propoxy-8-azabicyclo[3.2.1]octane
CID 159111232
tert-butyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5R)-3-methoxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 159437583
tert-butyl (1S,5R)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate;methanol;(1S,5R)-3-methyl-8-azabicyclo[3.2.1]octan-3-ol;hydrochloride
CID 160173101
Tert-butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate;2-piperidin-2-ylethanol
CID 160536656

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 160923095) is 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CC(O)C2.OC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is SSHALMBOGQGIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3.C7H13NO/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8;9-7-3-5-1-2-6(4-7)8-5/h8-10,14H,4-7H2,1-3H3;5-9H,1-4H2.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 354.49 g/mol, XLogP of 2.17, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 160923095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).