1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane

C13H17ClN2 — CID 172865059

IUPAC1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane
SMILESClc1ccc(C2NCCC23CCNC3)cc1
InChIInChI=1S/C13H17ClN2/c14-11-3-1-10(2-4-11)12-13(6-8-16-12)5-7-15-9-13/h1-4,12,15-16H,5-9H2
InChIKeyZWKFYGLFSGFVRK-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.35
Rot. Bonds1

About 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane

1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 172865059) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane
PubChem CID172865059
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane
SMILESClc1ccc(C2NCCC23CCNC3)cc1
InChIInChI=1S/C13H17ClN2/c14-11-3-1-10(2-4-11)12-13(6-8-16-12)5-7-15-9-13/h1-4,12,15-16H,5-9H2
InChIKeyZWKFYGLFSGFVRK-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane (CID 172865059) is 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane is Clc1ccc(C2NCCC23CCNC3)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZWKFYGLFSGFVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-11-3-1-10(2-4-11)12-13(6-8-16-12)5-7-15-9-13/h1-4,12,15-16H,5-9H2.
What are the key properties of 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane?
1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 236.75 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 172865059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).