[(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

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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).