2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane

C16H22Cl2N2 — CID 82038748

IUPAC2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESClc1ccc(Cl)c(CN2CCCC3(CCCNC3)C2)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-3-4-15(18)13(9-14)10-20-8-2-6-16(12-20)5-1-7-19-11-16/h3-4,9,19H,1-2,5-8,10-12H2
InChIKeyLRINYSGDCYXNFF-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds2

About 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane

2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 82038748) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID82038748
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESClc1ccc(Cl)c(CN2CCCC3(CCCNC3)C2)c1
InChIInChI=1S/C16H22Cl2N2/c17-14-3-4-15(18)13(9-14)10-20-8-2-6-16(12-20)5-1-7-19-11-16/h3-4,9,19H,1-2,5-8,10-12H2
InChIKeyLRINYSGDCYXNFF-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849413
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849338
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-[(2,5-dimethylthiophen-3-yl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849258
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 95227016
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 65317459
2-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849325

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane (CID 82038748) is 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane is Clc1ccc(Cl)c(CN2CCCC3(CCCNC3)C2)c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is LRINYSGDCYXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-14-3-4-15(18)13(9-14)10-20-8-2-6-16(12-20)5-1-7-19-11-16/h3-4,9,19H,1-2,5-8,10-12H2.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane?
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 313.27 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 82038748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).