2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

C14H18Cl2N2 — CID 82038699

IUPAC2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESClc1ccc(CN2CCC3(CCNC3)C2)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c15-12-2-1-11(13(16)7-12)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2
InChIKeyYJSDDTJHCYKBHH-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.18
Rot. Bonds2

About 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 82038699) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID82038699
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESClc1ccc(CN2CCC3(CCNC3)C2)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c15-12-2-1-11(13(16)7-12)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2
InChIKeyYJSDDTJHCYKBHH-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 82038699) is 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is Clc1ccc(CN2CCC3(CCNC3)C2)c(Cl)c1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is YJSDDTJHCYKBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c15-12-2-1-11(13(16)7-12)8-18-6-4-14(10-18)3-5-17-9-14/h1-2,7,17H,3-6,8-10H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 285.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82038699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).