(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride

C19H35ClN2O4 — CID 160923094

IUPAC(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(O)C2.Cl.OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C12H21NO3.C7H13NO.ClH/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;1H/t8-,9+,10?;5-,6+,7?;
InChIKeyMQGQDYAGKVWIIF-HMAKPXTGSA-N
MW390.95 g/mol
LogP2.59
Rot. Bonds

About (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride

(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride (PubChem CID 160923094) has the molecular formula C19H35ClN2O4 and a molecular weight of 390.95 g/mol. Its IUPAC name is (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
PubChem CID160923094
Molecular FormulaC19H35ClN2O4
Molecular Weight390.95 g/mol
Exact Mass390.23
IUPAC Name(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(O)C2.Cl.OC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C12H21NO3.C7H13NO.ClH/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;1H/t8-,9+,10?;5-,6+,7?;
InChIKeyMQGQDYAGKVWIIF-HMAKPXTGSA-N
XLogP2.59
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.95
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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 (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 (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
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
8-Azabicyclo[3.2.1]octan-3-ol;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 160923095
Tert-butyl 3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octane;hydrochloride
CID 160937845
tert-butyl 3-methyl-4-[(2S)-2-(2-methylpropyl)pyrrolidin-1-yl]piperidine-1-carboxylate;bis(carbon dioxide);1-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 161085543
tert-butyl (1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane-8-carboxylate;(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 161342971

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?
The IUPAC name of (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride (CID 160923094) is (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride.
What is the SMILES notation for (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?
The canonical SMILES for (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(O)C2.Cl.OC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?
The InChIKey is MQGQDYAGKVWIIF-HMAKPXTGSA-N. The full InChI is InChI=1S/C12H21NO3.C7H13NO.ClH/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;1H/t8-,9+,10?;5-,6+,7?;.
What are the key properties of (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride?
(1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride has a molecular weight of 390.95 g/mol, XLogP of 2.59, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-azabicyclo[3.2.1]octan-3-ol;tert-butyl (1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;hydrochloride is sourced from PubChem (CID 160923094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).