8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane

C14H20ClN2+ — CID 142602352

IUPAC8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane
SMILESClc1ccc(N2CC[N+]3(CCCC3)CC2)cc1
InChIInChI=1S/C14H20ClN2/c15-13-3-5-14(6-4-13)16-7-11-17(12-8-16)9-1-2-10-17/h3-6H,1-2,7-12H2/q+1
InChIKeyJURWIEIIWFRWQD-UHFFFAOYSA-N
MW251.78 g/mol
LogP2.77
Rot. Bonds1

About 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane

8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane (PubChem CID 142602352) has the molecular formula C14H20ClN2+ and a molecular weight of 251.78 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane
PubChem CID142602352
Molecular FormulaC14H20ClN2+
Molecular Weight251.78 g/mol
Exact Mass251.13
IUPAC Name8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane
SMILESClc1ccc(N2CC[N+]3(CCCC3)CC2)cc1
InChIInChI=1S/C14H20ClN2/c15-13-3-5-14(6-4-13)16-7-11-17(12-8-16)9-1-2-10-17/h3-6H,1-2,7-12H2/q+1
InChIKeyJURWIEIIWFRWQD-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

8-(4-methylphenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 152824720
8-(4-isocyanophenyl)-8-aza-5-azoniaspiro[4.5]decane
CID 155643143
4-(4-chlorophenyl)-1,1-diethylpiperazin-1-ium
CID 127039294
1-[4-(4-chlorophenyl)phenyl]-1,4-diazepane
CID 16755362
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-(4-chlorophenyl)-4-methylpiperidin-4-ol;ethane
CID 155585717
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-(4-chlorophenyl)-4-(1,2,2-trifluoroethyl)piperazine
CID 175523140
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanamine
CID 152771280
6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161657

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane?
The IUPAC name of 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane (CID 142602352) is 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane.
What is the SMILES notation for 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane?
The canonical SMILES for 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane is Clc1ccc(N2CC[N+]3(CCCC3)CC2)cc1.
What is the InChIKey of 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane?
The InChIKey is JURWIEIIWFRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN2/c15-13-3-5-14(6-4-13)16-7-11-17(12-8-16)9-1-2-10-17/h3-6H,1-2,7-12H2/q+1.
What are the key properties of 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane?
8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane has a molecular weight of 251.78 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-8-aza-5-azoniaspiro[4.5]decane is sourced from PubChem (CID 142602352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).