4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane

C17H24Cl2N2 — CID 64926272

IUPAC4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESClc1ccc(CCN2CCNC3(CCCCC3)C2)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2/c18-15-5-4-14(16(19)12-15)6-10-21-11-9-20-17(13-21)7-2-1-3-8-17/h4-5,12,20H,1-3,6-11,13H2
InChIKeyAPFNGDPVDSPFTE-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.14
Rot. Bonds3

About 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane

4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64926272) has the molecular formula C17H24Cl2N2 and a molecular weight of 327.30 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64926272
Molecular FormulaC17H24Cl2N2
Molecular Weight327.30 g/mol
Exact Mass326.13
IUPAC Name4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESClc1ccc(CCN2CCNC3(CCCCC3)C2)c(Cl)c1
InChIInChI=1S/C17H24Cl2N2/c18-15-5-4-14(16(19)12-15)6-10-21-11-9-20-17(13-21)7-2-1-3-8-17/h4-5,12,20H,1-3,6-11,13H2
InChIKeyAPFNGDPVDSPFTE-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane (CID 64926272) is 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane is Clc1ccc(CCN2CCNC3(CCCCC3)C2)c(Cl)c1.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is APFNGDPVDSPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2/c18-15-5-4-14(16(19)12-15)6-10-21-11-9-20-17(13-21)7-2-1-3-8-17/h4-5,12,20H,1-3,6-11,13H2.
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 327.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64926272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).