10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane

C16H22Cl2N2 — CID 107310531

IUPAC10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESClc1cccc(CN2CCCNC3(CCCC3)C2)c1Cl
InChIInChI=1S/C16H22Cl2N2/c17-14-6-3-5-13(15(14)18)11-20-10-4-9-19-16(12-20)7-1-2-8-16/h3,5-6,19H,1-2,4,7-12H2
InChIKeyCZWDIKDUNMANHM-UHFFFAOYSA-N
MW313.27 g/mol
LogP4.10
Rot. Bonds2

About 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane

10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane (PubChem CID 107310531) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
PubChem CID107310531
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
SMILESClc1cccc(CN2CCCNC3(CCCC3)C2)c1Cl
InChIInChI=1S/C16H22Cl2N2/c17-14-6-3-5-13(15(14)18)11-20-10-4-9-19-16(12-20)7-1-2-8-16/h3,5-6,19H,1-2,4,7-12H2
InChIKeyCZWDIKDUNMANHM-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane (CID 107310531) is 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane is Clc1cccc(CN2CCCNC3(CCCC3)C2)c1Cl.
What is the InChIKey of 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
The InChIKey is CZWDIKDUNMANHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2/c17-14-6-3-5-13(15(14)18)11-20-10-4-9-19-16(12-20)7-1-2-8-16/h3,5-6,19H,1-2,4,7-12H2.
What are the key properties of 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane?
10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane has a molecular weight of 313.27 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 107310531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).