2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane

C15H21ClN2 — CID 82486515

IUPAC2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCc1ccc(Cl)cc1N1CCC2(CCNCC2)C1
InChIInChI=1S/C15H21ClN2/c1-12-2-3-13(16)10-14(12)18-9-6-15(11-18)4-7-17-8-5-15/h2-3,10,17H,4-9,11H2,1H3
InChIKeyVNZFOXCMKNCBQM-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.23
Rot. Bonds1

About 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane

2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 82486515) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID82486515
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
SMILESCc1ccc(Cl)cc1N1CCC2(CCNCC2)C1
InChIInChI=1S/C15H21ClN2/c1-12-2-3-13(16)10-14(12)18-9-6-15(11-18)4-7-17-8-5-15/h2-3,10,17H,4-9,11H2,1H3
InChIKeyVNZFOXCMKNCBQM-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)piperazine
CID 693767
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
1-(5-chloro-2-methylphenyl)-3,3-difluoropyrrolidine
CID 117007615
1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699
3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 170254534
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
4-[3-(5-chloro-2-methylphenyl)imidazol-4-yl]-4-methylpiperidine
CID 114717692
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
(5S)-2-(2-chlorophenyl)-2,7-diazaspiro[4.4]nonane
CID 96706336
2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028706
2-(4-tert-butylphenyl)-2,8-diazaspiro[4.5]decane
CID 96668742
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane (CID 82486515) is 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane is Cc1ccc(Cl)cc1N1CCC2(CCNCC2)C1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is VNZFOXCMKNCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-12-2-3-13(16)10-14(12)18-9-6-15(11-18)4-7-17-8-5-15/h2-3,10,17H,4-9,11H2,1H3.
What are the key properties of 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane?
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 264.80 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 82486515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).