[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride

C14H25ClN2O2 — CID 154908047

IUPAC[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride
SMILESCl.O=C(C1CCC(O)CC1)N1C[C@@H]2CC[C@H]1CNC2
InChIInChI=1S/C14H24N2O2.ClH/c17-13-5-2-11(3-6-13)14(18)16-9-10-1-4-12(16)8-15-7-10;/h10-13,15,17H,1-9H2;1H/t10-,11?,12+,13?;/m1./s1
InChIKeyFQHAOCMVZCQVJA-PKNMQIIOSA-N
MW288.82 g/mol
LogP1.17
Rot. Bonds1

About [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride

[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride (PubChem CID 154908047) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride
PubChem CID154908047
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC Name[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride
SMILESCl.O=C(C1CCC(O)CC1)N1C[C@@H]2CC[C@H]1CNC2
InChIInChI=1S/C14H24N2O2.ClH/c17-13-5-2-11(3-6-13)14(18)16-9-10-1-4-12(16)8-15-7-10;/h10-13,15,17H,1-9H2;1H/t10-,11?,12+,13?;/m1./s1
InChIKeyFQHAOCMVZCQVJA-PKNMQIIOSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride with MolForge

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Related Compounds

cyclobutyl-[(1R)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
CID 67130731
cyclobutyl-[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]methanone
CID 58488093
[(1R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[(2S)-2-fluorocyclopropyl]methanone
CID 45111237
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-piperidin-4-ylmethanone
CID 129375092
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
tert-butyl (1S,5R)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 75534864
(3-aminocyclopentyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 66009836
[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-(2-fluorocyclopropyl)methanone
CID 67130492
cyclopentyl(2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 175882089
[(1R,5S)-3,6-diazabicyclo[3.2.1]octan-6-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 67130491
3,6-diazabicyclo[3.2.2]nonan-6-yl-(5-methylfuran-2-yl)methanone
CID 45111537
2-azabicyclo[2.2.1]heptan-2-yl-(1-propan-2-ylpiperidin-4-yl)methanone
CID 89459187

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride?
The IUPAC name of [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride (CID 154908047) is [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride.
What is the SMILES notation for [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride?
The canonical SMILES for [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride is Cl.O=C(C1CCC(O)CC1)N1C[C@@H]2CC[C@H]1CNC2.
What is the InChIKey of [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride?
The InChIKey is FQHAOCMVZCQVJA-PKNMQIIOSA-N. The full InChI is InChI=1S/C14H24N2O2.ClH/c17-13-5-2-11(3-6-13)14(18)16-9-10-1-4-12(16)8-15-7-10;/h10-13,15,17H,1-9H2;1H/t10-,11?,12+,13?;/m1./s1.
What are the key properties of [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride?
[(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(4-hydroxycyclohexyl)methanone;hydrochloride is sourced from PubChem (CID 154908047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).