(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane

C13H17ClN2 — CID 96706336

IUPAC(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
SMILESClc1ccccc1N1CC[C@]2(CCNC2)C1
InChIInChI=1S/C13H17ClN2/c14-11-3-1-2-4-12(11)16-8-6-13(10-16)5-7-15-9-13/h1-4,15H,5-10H2/t13-/m0/s1
InChIKeyXFGGWQFGZJYQBL-ZDUSSCGKSA-N
MW236.75 g/mol
LogP2.53
Rot. Bonds1

About (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane

(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 96706336) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
PubChem CID96706336
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
SMILESClc1ccccc1N1CC[C@]2(CCNC2)C1
InChIInChI=1S/C13H17ClN2/c14-11-3-1-2-4-12(11)16-8-6-13(10-16)5-7-15-9-13/h1-4,15H,5-10H2/t13-/m0/s1
InChIKeyXFGGWQFGZJYQBL-ZDUSSCGKSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2,7-diazaspiro[4.4]nonan-2-yl)benzonitrile
CID 112740359
2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028706
2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
CID 112740364
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
1-(2-chlorophenyl)piperazine
CID 162116490
2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 112740371
2-(2,7-diazaspiro[4.4]nonan-2-yl)-1,3-benzothiazole
CID 112740355
5-(2,7-diazaspiro[4.4]nonan-2-yl)-1,2-oxazole
CID 10081310
2-(1,3-benzodioxol-5-yl)-2,7-diazaspiro[4.4]nonane
CID 82537950

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane (CID 96706336) is (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane is Clc1ccccc1N1CC[C@]2(CCNC2)C1.
What is the InChIKey of (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is XFGGWQFGZJYQBL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-11-3-1-2-4-12(11)16-8-6-13(10-16)5-7-15-9-13/h1-4,15H,5-10H2/t13-/m0/s1.
What are the key properties of (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 236.75 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 96706336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).