1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride

C14H20Cl2N2 — CID 121418669

IUPAC1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Clc1ccc(N2CCCC23CCNCC3)cc1
InChIInChI=1S/C14H19ClN2.ClH/c15-12-2-4-13(5-3-12)17-11-1-6-14(17)7-9-16-10-8-14;/h2-5,16H,1,6-11H2;1H
InChIKeyUSLKXWGZEXOPIL-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.48
Rot. Bonds1

About 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride

1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 121418669) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID121418669
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Clc1ccc(N2CCCC23CCNCC3)cc1
InChIInChI=1S/C14H19ClN2.ClH/c15-12-2-4-13(5-3-12)17-11-1-6-14(17)7-9-16-10-8-14;/h2-5,16H,1,6-11H2;1H
InChIKeyUSLKXWGZEXOPIL-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride (CID 121418669) is 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride is Cl.Clc1ccc(N2CCCC23CCNCC3)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is USLKXWGZEXOPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2.ClH/c15-12-2-4-13(5-3-12)17-11-1-6-14(17)7-9-16-10-8-14;/h2-5,16H,1,6-11H2;1H.
What are the key properties of 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride?
1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 287.23 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1,8-diazaspiro[4.5]decane;hydrochloride is sourced from PubChem (CID 121418669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).