(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol

C16H22ClNO2 — CID 166293998

IUPAC(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol
SMILESO[C@@H]1CN(Cc2ccccc2Cl)C2(CCCC2)C[C@@H]1O
InChIInChI=1S/C16H22ClNO2/c17-13-6-2-1-5-12(13)10-18-11-15(20)14(19)9-16(18)7-3-4-8-16/h1-2,5-6,14-15,19-20H,3-4,7-11H2/t14-,15+/m0/s1
InChIKeyZFURGRMZJSZCAP-LSDHHAIUSA-N
MW295.81 g/mol
LogP2.58
Rot. Bonds2

About (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol

(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol (PubChem CID 166293998) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol.

Molecular Properties

Compound Name(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol
PubChem CID166293998
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol
SMILESO[C@@H]1CN(Cc2ccccc2Cl)C2(CCCC2)C[C@@H]1O
InChIInChI=1S/C16H22ClNO2/c17-13-6-2-1-5-12(13)10-18-11-15(20)14(19)9-16(18)7-3-4-8-16/h1-2,5-6,14-15,19-20H,3-4,7-11H2/t14-,15+/m0/s1
InChIKeyZFURGRMZJSZCAP-LSDHHAIUSA-N
XLogP2.58
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol 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

4-[[(8R,9S)-8,9-dihydroxy-6-azaspiro[4.5]decan-6-yl]methyl]-2H-isoquinolin-1-one;2,2,2-trifluoroacetic acid
CID 167756208
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897416
4-[(2-chlorophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
CID 64875519
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
3-[(2-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione
CID 122379571
[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009445
8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63769607
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
2-[(2-chlorophenyl)methyl]-2-methylazepane
CID 79119375
1-[(2-chlorophenyl)methyl]-5-cyclopropyl-2,2-dimethylpiperazine
CID 64860914

Frequently Asked Questions

What is the IUPAC name of (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol?
The IUPAC name of (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol (CID 166293998) is (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol.
What is the SMILES notation for (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol?
The canonical SMILES for (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol is O[C@@H]1CN(Cc2ccccc2Cl)C2(CCCC2)C[C@@H]1O.
What is the InChIKey of (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol?
The InChIKey is ZFURGRMZJSZCAP-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-13-6-2-1-5-12(13)10-18-11-15(20)14(19)9-16(18)7-3-4-8-16/h1-2,5-6,14-15,19-20H,3-4,7-11H2/t14-,15+/m0/s1.
What are the key properties of (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol?
(8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol has a molecular weight of 295.81 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S)-6-[(2-chlorophenyl)methyl]-6-azaspiro[4.5]decane-8,9-diol is sourced from PubChem (CID 166293998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).