2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane

C14H18ClNO — CID 141382872

IUPAC2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
SMILESClc1cccc(N2CCC3(CCOCC3)C2)c1
InChIInChI=1S/C14H18ClNO/c15-12-2-1-3-13(10-12)16-7-4-14(11-16)5-8-17-9-6-14/h1-3,10H,4-9,11H2
InChIKeyWVAPVKRIIFUCPG-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.35
Rot. Bonds1

About 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane

2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane (PubChem CID 141382872) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
PubChem CID141382872
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
SMILESClc1cccc(N2CCC3(CCOCC3)C2)c1
InChIInChI=1S/C14H18ClNO/c15-12-2-1-3-13(10-12)16-7-4-14(11-16)5-8-17-9-6-14/h1-3,10H,4-9,11H2
InChIKeyWVAPVKRIIFUCPG-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)pyrrolidin-2-one
CID 71976776
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 115295298
2-[3-chloro-2-(chloromethyl)phenyl]-8-oxa-2-azaspiro[4.5]decane
CID 114279408
2-chloro-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzoic acid
CID 79695358
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747
2-chloro-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)benzoic acid
CID 79695688
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
1-(3-chlorophenyl)azonane
CID 145391535
2-(3-chlorophenyl)-2-hydroxy-1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)ethanone
CID 118771498
[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
CID 62270372
[1-(3-chlorophenyl)pyrazol-4-yl]-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)methanone
CID 126775210
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane?
The IUPAC name of 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane (CID 141382872) is 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane is Clc1cccc(N2CCC3(CCOCC3)C2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane?
The InChIKey is WVAPVKRIIFUCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-12-2-1-3-13(10-12)16-7-4-14(11-16)5-8-17-9-6-14/h1-3,10H,4-9,11H2.
What are the key properties of 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane?
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane has a molecular weight of 251.76 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 141382872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).